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5,6-Dimethyl-1,2,4-triazin-3-amine.

ABSTRACT: In the crystal structure of the title compound, C(5)H(8)N(4), adjacent mol-ecules are connected through N-H?N hydrogen bonds, resulting in a zigzag chain along [100]. The amino groups and heterocyclic N atoms are involved in further N-H?N hydrogen bonds, forming R(2) (2)(8) motifs.

SUBMITTER: Wu MH

PROVIDER: S-EPMC3254400 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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5,6-Dimethyl-1,2,4-triazin-3-amine.

Wu Man-Hua MH Qiu Qi-Ming QM Gao Sen S Jin Qiong-Hua QH Zhang Cun-Lin CL

Acta crystallographica. Section E, Structure reports online 20111207 Pt 1

In the crystal structure of the title compound, C(5)H(8)N(4), adjacent mol-ecules are connected through N-H⋯N hydrogen bonds, resulting in a zigzag chain along [100]. The amino groups and heterocyclic N atoms are involved in further N-H⋯N hydrogen bonds, forming R(2) (2)(8) motifs. ...[more]

PMID: 22259542

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3-Amino-5,6-dimethyl-1,2,4-triazin-2-ium nitrate.

Project description:In the title compound, C5H9N4 (+)·NO3 (-), the organic cations and the nitrate anions have both crystallographically imposed mirror symmetry and are linked via N-H⋯O hydrogen bonds, forming infinite chains running along the c-axis direction. The values of the N-O bond lengths [1.2256 (19)-1.2642 (18) Å] and O-N-O angles [118.39 (16)-121.64 (15)°] indicate that the nitrate anion exhibits a slightly distorted C3h geometry. The N atom of the NH2 group has sp (2) character.

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7-Dimethyl-amino-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol solvate.

Project description:7-Dimethyl-amino-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine crystallized with one mol-ecule of methanol to give the title compound, C(12)H(13)N(7)·CH(3)OH. The triazolo[1,5-a][1,3,5]triazine heterocyclic core is essentially planar as are both amino groups that are involved in ?-electron delocalization with the triazolo[1,5-a][1,3,5]triazine nucleus. The methyl groups of the dimethyl-amino fragment are involved in the formation of weak intra-molecular C-H?N hydrogen bonds with the N atoms of the heterocyclic system. The crystal packing is stabilized by inter-molecular N-H?N hydrogen bonds between the triazolo[1,5-a][1,3,5]triazine mol-ecules. The methanol solvent mol-ecule also participates in the formation of the crystal structure via inter-molecular O-H?N, N-H?O and weak C-H?O hydrogen bonds, linking the layers of triazolo[1,5-a][1,3,5]triazine mol-ecules.

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N-{2-[(4S)-4-tert-Butyl-4,5-dihydro-1,3-oxazol-2-yl]phen-yl}-5,6-diphenyl-1,2,4-triazin-3-amine.

Project description:The title compound, C(28)H(27)N(5)O, was synthesized using palladium cross-coupling amination of 3-bromo-5,6-diphenyl-1,2,4-triazine with 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]aniline. The oxazoline ring is almost planar, with a maximum atomic deviation of 0.023 (5) Å. The phenyl rings make dihedral angles of 29.0 (1) and 54.6 (1)° with the triazine ring while the benzene ring makes a dihedral angle of 0.6 (1)° with the oxazoline ring. The conformation of the mol-ecule is influenced by strong intra-molecular N-H⋯N and weak C-H⋯N hydrogen bonds. In the crystal, screw-axis related mol-ecules are linked into supra-molecular chains by inter-molecular C-H⋯O hydrogen bonds. π-π stacking is observed between the oxazoline and triazine rings of adjacent mol-ecules, with a centroid-centroid distance of 3.749 (2) Å.

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Project description:The title compound, C21H16N4, obtained under standard Suzuki cross-coupling conditions, is a model compound in the synthesis and biological activity evaluation of new aza-analogues of sildenafil containing a pyrazolo-[4,3-e][1,2,4]triazine system. An N-H?N intra-molecular hydrogen bond involving the amino-benzene system and the 1,2,4-triazine moiety helps to establish a near coplanar orientation of the rings with a dihedral angle of 12.04?(4)°, which is believed to be necessary for the biological activity of sildenafil analogues. The 1,2,4-triazine ring is slightly distorted from planarity [r.m.s deviation = 0.0299?(11)?Å] and forms dihedral angles of 58.60?(4) and 36.35?(3)° with the pendant phenyl rings. The crystal packing features bifurcated N-H?(N,N) hydrogen bonds linking screw-axis-related mol-ecules into chains parallel to the [010] direction and ?-? inter-actions, with a centroid-centroid separation of 3.8722?(7)?Å and a slippage of 1.412?(3)?Å. The crystal studied was a nonmerohedral twin with a ratio of 0.707?(2):0293?(2).

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Project description:The asymmetric unit of the title compound, [Ag(C(5)H(8)N(4))(3)](CF(3)O(3)S)·C(5)H(8)N(4), contains two cations, two anions and two uncoordinated 3-amino-5,6-dimethyl-1,2,4-triazine (admt) ligands. It was prepared from the reaction of silver trifluoro-methane-sulfonate and admt in a 2:3 molar ratio. Both silver(I) ions are bonded to three admt mol-ecules via their 2-position triazine N atoms in almost regular trigonal-planar geometries. Three intra-molecular N-H⋯N hydrogen bonds between adjacent admt mol-ecules in each cation help to maintain their overall near planarities (r.m.s. deviations for the 28 non-H atoms = 0.139 and 0.153 Å). In the crystal, numerous N-H⋯N, N-H⋯O, C-H⋯O, C-H⋯N and C-H⋯F hydrogen-bonding interactions link the components into a three-dimensional network.

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N-[4-(Dimethyl-amino)-benzyl-idene]-4H-1,2,4-triazol-4-amine.

Project description:The title compound, C(11)H(13)N(5), is a Schiff base synthesized by the reaction of 4-amino-4H-1,2,4-triazole and 4-(dimethyl-amino)-benzaldehyde. The dihedral angle between the benzene and triazole rings is 43.09 (11)°. The crystal structure displays weak C-H⋯N inter-actions.

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5,6-Dimethyl-4-(thio-phen-2-yl)-1H-pyrazolo-[3,4-b]pyridin-3-amine.

Project description:In the title mol-ecule, C(12)H(12)N(4)S, the thio-phene ring is disordered over two orientations with a refined site-occupancy ratio of 0.777?(4):0.223?(4). The pyrazolo-pyridine ring system is essentially planar with an r.m.s. deviation of 0.0069?(3)?Å and makes dihedral angles of 82.8?(2) and 72.6?(5)°, respectively, with the major and minor components of the thio-phene ring. In the crystal, mol-ecules are linked into a chain along the a axis by a pair of N-H?N(pyrazole) hydrogen bonds and a pair of N-H?N(pyridine) hydrogen bonds, both having a centrosymmetric R(2) (2)(8) graph-set motif. A C-H?? inter-action is also present.

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4,4-Dimethyl-3,4-dihydro-pyrido[2',3':3,4]pyrazolo-[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate.

Project description:In the title compound, C(10)H(12)N(6)·C(2)H(5)OH, the planarity of the heterocyclic system is slightly distorted at the triazine ring (r.m.s. deviation = 0.1191?Å), which adopts a conformation best described as inter-mediate between a flattened twisted boat and a half-boat with the tertiary Csp(3) atom at the bow. In the crystal, mol-ecules form centrosymmetric dimers connected by N?H-O and O?H-N hydrogen bonds between the amino group H atom, the ethanol solvent mol-ecule and the triazine N atom, making an R(4) (4)(12) graph-set motif. The other H atom of the amino group and the H atom on the endocyclic N atom form N?H-N hydrogen bonds with the N atoms of the pyrazole and pyridine rings, respectively, linking the mol-ecules into C(7)C(7) chains with the R(2) (2)(8) binary graph-set motif running along [010].

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Bis(?-3,5-dimethyl-1,2,4-triazol-4-amine-?N:N)bis-[dichlorido-cobalt(II)].

Project description:In the centrosymmetric dinuclear compound, [Co(2)Cl(4)(C(4)H(8)N(4))(2)], the Co(II) atom is coordinated by N atoms from two 3,5-dimethyl-1,2,4-triazol-4-amine ligands and two Cl atoms in a distorted tetra-hedral geometry. A six-membered ring is formed by four N atoms from two ligands and the two Co(II) centers; the Co?Co distance is 3.756?(9)?Å.

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