3,4-二氨基-6-甲基-1,2,4-三嗪-5(4h)-酮 | 52553-11-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 3,4-二氨基-6-甲基-1,2,4-三嗪-5(4h)-酮
• 英文名称: 3,4-diamino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazine
• 英文别名: 3,4-diamino-6-methyl-1,2,4-triazin-5(4H)-one；3,4-diamino-6-methyl-4H-[1,2,4]triazin-5-one；3,4-diamino-6-methyl-1,2,4-triazine-5(4H)-one；3,4-Diamino-4,5-dihydro-6-methyl-1,2,4-triazin-5-on；3,4-Amino-5-oxo-6-methyl-4,5-dihydro-1,2,4-triazin；3,4-diamino-6-methyl-1,2,4-triazin-5-one
• CAS: 52553-11-4
• 化学式: C₄H₇N₅O
• mdl: MFCD03426704
• 分子量: 141.132
• InChiKey: YIUAPQXIGBLZGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  97.1
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933699090

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 3,4-二氨基-6-甲基-1,2,4-三嗪-5(4h)-酮 以 乙醇 为溶剂， 以85%的产率得到3,4-diamino-6-methyl-1,2,4-triazin-5-one;dichlororuthenium;1-methyl-4-propan-2-ylbenzene
  参考文献：
  名称：

  Preparation and study of functionalized 1,2,4-triazine derivatives of the (η6-arene)RuII (arene = benzene or p-cymene) and (η5-C5Me5)RhIII moieties

  摘要：

  In dichloromethane the complexes [{(eta(6)-arene)RuCl(mu-Cl)}(2)] (arene = benzene or p-cymene) and [{(eta(5)-C(5)Me(5)) RhCl(mu-Cl)}(2)] react with the triazines 4-amino-6-methyl-5-oxo-3 -thioxo-2,3,4, 5-tetrahydro-1,2,4-triazine (3-S-ATAZ), 4-amino-6-methyl-5-oxo-3-phenylamino-4,5-dihydro-1,2,4-triazine (3-PhNH-ATAZ) and 4-amino-6-methyl-5-oxo-3-amino-4,5-dihydro- 1,2,4-triazine (3-NH2-ATAZ) to form the corresponding complexes [(eta(6)-arene) RuCl(triazine)]Cl and [(eta(5)-C(5)Me(5)) RhCl(triazine)]Cl. The new compounds have been characterized by conductance measurements and spectroscopic (IR,H-1, C-13)methods. In every case the triazine acts as a chelating bidentate ligand, which has been confirmed by a single-crystal diffraction study carried out with [(eta(5)-C(5)Me(5)) RhCl(3-PhNH-ATAZ)]PF6 . H2O.

  DOI：

  10.1016/0277-5387(94)00469-u

文献信息

• Synthesis and antibacterial activity of some new thiadiaza/triazaphospholes, thiadiaza/triaza/tetrazaphosphinines and thiadiaza/tetrazaphosphepines containing 1,2,4-triazinone moiety
  作者：Tarik El-Sayed Ali

  DOI：10.1016/j.ejmech.2009.06.022

  日期：2009.11

  Some new thiadiaza/triazaphospholes, thiadiaza/triaza/tetrazaphosphinines and thiadiaza/tetrazaphosphepines fused with 6-methyl-1,2,4-triazin-5-one moiety were synthesized via reactions of α,β-bifunctional compounds derived from 4-amino-3-mercapto-6-methyl-1,2,4-triazin-5(4H)-one (1) with various phosphorus reagents. The in vitro antibacterial activities of the synthesized compounds were evaluated

  通过与4-氨基-β-双官能团的α，β-双官能化合物反应合成了一些新的噻二氮杂/三氮杂磷，噻二氮杂/三氮杂/四氮杂膦和噻二氮杂/四氮杂五环素与6-甲基-1,2,4-三氮杂-5-酮基部分融合。3-巯基-6-甲基-1,2,4-三嗪-5（4 H）-一（1）与各种磷试剂。在体外合成的化合物的抗菌活性对一些细菌菌株进行评价。与参考药物相比，化合物16和21对大多数受测生物具有良好的抑制活性，MIC值在6.25–12.5μg/ mL范围内，并且具有较低的细胞毒性。
• LAVERGNE J. P.; VIALLEFONT P.; DAUNIS J., J. HETEROCYCL. CHEM. <JHTC-AD>, 1975, 12, NO 6, 1095-1101
  作者：LAVERGNE J. P.、 VIALLEFONT P.、 DAUNIS J.

  DOI：——

  日期：——
• Preparation and study of functionalized 1,2,4-triazine derivatives of the (η6-arene)RuII (arene = benzene or p-cymene) and (η5-C5Me5)RhIII moieties
  作者：Gabriel Garcia、Isabel Solano、Gregorio Sanchez、Gregorio Lopez、Jaume Casabo、Elies Molins、Carles Miravitlles

  DOI：10.1016/0277-5387(94)00469-u

  日期：1995.7

  In dichloromethane the complexes [(eta(6)-arene)RuCl(mu-Cl)}(2)] (arene = benzene or p-cymene) and [(eta(5)-C(5)Me(5)) RhCl(mu-Cl)}(2)] react with the triazines 4-amino-6-methyl-5-oxo-3 -thioxo-2,3,4, 5-tetrahydro-1,2,4-triazine (3-S-ATAZ), 4-amino-6-methyl-5-oxo-3-phenylamino-4,5-dihydro-1,2,4-triazine (3-PhNH-ATAZ) and 4-amino-6-methyl-5-oxo-3-amino-4,5-dihydro- 1,2,4-triazine (3-NH2-ATAZ) to form the corresponding complexes [(eta(6)-arene) RuCl(triazine)]Cl and [(eta(5)-C(5)Me(5)) RhCl(triazine)]Cl. The new compounds have been characterized by conductance measurements and spectroscopic (IR,H-1, C-13)methods. In every case the triazine acts as a chelating bidentate ligand, which has been confirmed by a single-crystal diffraction study carried out with [(eta(5)-C(5)Me(5)) RhCl(3-PhNH-ATAZ)]PF6 . H2O.