5-(4-methoxylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole | 159053-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-methoxylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole
• 英文别名: 2-(5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl)pyrazine；2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine
• CAS: 159053-06-2
• 化学式: C₁₃H₁₁N₅O
• mdl: MFCD11983453
• 分子量: 253.263
• InChiKey: CUMDWKLBWFOKOO-UHFFFAOYSA-N

物化性质

• 沸点：
  511.6±60.0 °C(Predicted)
• 密度：
  1.297±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  76.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(4-methoxylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole 在 sodium methylate 、 sodium hydride 作用下， 以 甲醇 为溶剂， 反应 9.0h， 生成 1-<(2-hydroxyethoxy)methyl>-5-(4-methoxyphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and antiviral activity of some new 1H-1,2,4-triazole derivatives

  摘要：

  A series of new 1H-1,2,4-triazole derivatives was synthesised and evaluated in vitro for activity against various DNA and RNA viruses. Compounds 1-benzyl-5-(4-methylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole 2b, 1-benzyl-5-(3-methylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole 2c and 1-[(2-hydroxyethoxy)methyl]-5-(3-methylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole 4h proved active against reovirus-1, and compounds 1-[(2-hydroxyethoxy)methyl]-5-phenyl-3-(2-pyrazinyl)-1H-1,2,4-triazole 4f and 1-[(2-hydroxyethoxy)methyl]-5-(3-methylphenyl-3-(2-pyrazinyl)-1H-1,2,4-triazole 4h against parainfluenza-3 virus, in Vero cells at concentrations that were 5- to 40-fold lower than the cytotoxic concentrations required to alter normal cell morphology.

  DOI：

  10.1016/0223-5234(94)90152-x
• 作为产物：
  描述：

  吡嗪-2-甲酰肼 、 4-methoxy-benzimidic acid ethyl ester 反应 5.0h， 以90%的产率得到5-(4-methoxylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and antiviral activity of some new 1H-1,2,4-triazole derivatives

  摘要：

  A series of new 1H-1,2,4-triazole derivatives was synthesised and evaluated in vitro for activity against various DNA and RNA viruses. Compounds 1-benzyl-5-(4-methylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole 2b, 1-benzyl-5-(3-methylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole 2c and 1-[(2-hydroxyethoxy)methyl]-5-(3-methylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole 4h proved active against reovirus-1, and compounds 1-[(2-hydroxyethoxy)methyl]-5-phenyl-3-(2-pyrazinyl)-1H-1,2,4-triazole 4f and 1-[(2-hydroxyethoxy)methyl]-5-(3-methylphenyl-3-(2-pyrazinyl)-1H-1,2,4-triazole 4h against parainfluenza-3 virus, in Vero cells at concentrations that were 5- to 40-fold lower than the cytotoxic concentrations required to alter normal cell morphology.

  DOI：

  10.1016/0223-5234(94)90152-x