3-(3-Mercapto-5-pyrazin-2-yl-[1,2,4]triazol-4-yl)-propan-1-ol | 717847-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(3-Mercapto-5-pyrazin-2-yl-[1,2,4]triazol-4-yl)-propan-1-ol
• 英文别名: 4-(3-hydroxypropyl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione
• CAS: 717847-07-9
• 化学式: C₉H₁₁N₅OS
• 分子量: 237.285
• InChiKey: FQULRKTUQVIYGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(3-Mercapto-5-pyrazin-2-yl-[1,2,4]triazol-4-yl)-propan-1-ol 在 盐酸 作用下， 反应 2.0h， 以75%的产率得到3-Pyrazin-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine
  参考文献：
  名称：

  STUDIES ON PYRAZINE DERIVATIVES. XL. SYNTHESIS, REACTIVITY, AND TUBERCULOSTATIC ACTIVITY OF 4-HYDROXYALKYL-5-PYRAZINYL4H-[1,2,4]-TRIAZOLE-3-THIONES

  摘要：

  In the reactions of pirazinoyldithiocarbazoic acid monoester with aminoalcohols, 4-hydroxyalkyl-1,2,4-triazole-3-thiones were obtained. Their susceptibility to alkylation, as well as the condensed heterocyclic 1,3-thiazacycloalkyl[3,2-b]-1,2,4-thiazoles(1) formation ability, were examined. Some of the compounds obtained were tested for their tuberculostatic activity.

  DOI：

  10.1080/10426500490485534
• 作为产物：
  描述：

  3-氨基-1-丙醇 、 N'-(pyrazine-2-carbonyl)-hydrazinecarbodithioic acid methyl ester 反应 0.5h， 以85%的产率得到3-(3-Mercapto-5-pyrazin-2-yl-[1,2,4]triazol-4-yl)-propan-1-ol
  参考文献：
  名称：

  STUDIES ON PYRAZINE DERIVATIVES. XL. SYNTHESIS, REACTIVITY, AND TUBERCULOSTATIC ACTIVITY OF 4-HYDROXYALKYL-5-PYRAZINYL4H-[1,2,4]-TRIAZOLE-3-THIONES

  摘要：

  In the reactions of pirazinoyldithiocarbazoic acid monoester with aminoalcohols, 4-hydroxyalkyl-1,2,4-triazole-3-thiones were obtained. Their susceptibility to alkylation, as well as the condensed heterocyclic 1,3-thiazacycloalkyl[3,2-b]-1,2,4-thiazoles(1) formation ability, were examined. Some of the compounds obtained were tested for their tuberculostatic activity.

  DOI：

  10.1080/10426500490485534