3-(5-amino-3-methyl-pyrazol-1-yl)-6-methyl-4H-[1,2,4]triazin-5-one | 62239-69-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 3-(5-amino-3-methyl-pyrazol-1-yl)-6-methyl-4H-[1,2,4]triazin-5-one
• 英文别名: 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-4,5-dihydro-1,2,4-triazin-5-one；3-(5-amino-3-methylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
• CAS: 62239-69-4
• 化学式: C₈H₁₀N₆O
• mdl: MFCD24388477
• 分子量: 206.207
• InChiKey: SOOSXBXPDQLOPS-UHFFFAOYSA-N

物化性质

• 熔点：
  274-280 °C(Solv: ethanol (64-17-5); acetic acid (64-19-7))
• 沸点：
  401.9±37.0 °C(Predicted)
• 密度：
  1.63±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  97.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(5-amino-3-methyl-pyrazol-1-yl)-6-methyl-4H-[1,2,4]triazin-5-one 以38%的产率得到
  参考文献：
  名称：

  LALEZARI I., J. HETEROCYCL. CHEM. , 1976, 13, NO 6, 1249-1251

  摘要：

  DOI：
• 作为产物：
  描述：

  3-肼基-6-甲基-4H-[1,2,4]三嗪环-5-酮 以83%的产率得到
  参考文献：
  名称：

  LALEZARI I., J. HETEROCYCL. CHEM. , 1976, 13, NO 6, 1249-1251

  摘要：

  DOI：

文献信息

• PROCESS FOR PRODUCING 5-AMINOPYRAZOLE DERIVATIVE, AND AZO DYE
  申请人：Tateishi Keiichi

  公开号：US20100063262A1

  公开（公告）日：2010-03-11

  A process for producing a 5-aminopyrazole derivative represented by Formula (I) includes a step of reacting a hydrazine compound represented by Formula (II) with a compound represented by Formula (III) under a condition satisfying Reaction Condition 1 and Reaction Condition 2, wherein Reaction Condition 1 is that the reaction is conducted in a reaction solvent containing water, and Reaction Condition 2 is that pH of a liquid mixture containing the hydrazine compound represented by Formula (II), the compound represented by Formula (III), the reaction solvent, and an acidifying agent upon charging is within a range of from 2.0 to 4.0 at 25° C.: wherein the symbols in the formulae (I) to (III) are defined in the specification.
• US8765953B2
  申请人：——

  公开号：US8765953B2

  公开（公告）日：2014-07-01