4-amino-2-[4-(4-amino-5-mercapto-4H-[1,2,4]triazol-3-yl)phenyl]-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one | 1415692-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-amino-2-[4-(4-amino-5-mercapto-4H-[1,2,4]triazol-3-yl)phenyl]-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one
• 英文别名: 4-amino-2-[4-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-5-methyl-1,2,4-triazol-3-one
• CAS: 1415692-90-8
• 化学式: C₁₁H₁₂N₈OS
• 分子量: 304.335
• InChiKey: NRKNHBVSLOSHOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  148
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-amino-2-[4-(5-mercapto-[1,3,4]oxadiazol-2-yl)phenyl]-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one 在 一水合肼 作用下， 反应 12.0h， 以70%的产率得到4-amino-2-[4-(4-amino-5-mercapto-4H-[1,2,4]triazol-3-yl)phenyl]-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one
  参考文献：
  名称：

  Synthesis of some novel 1,2,4-triazole and 1,3,4-oxadiazole derivatives of biological interest

  摘要：

  In this study, a series of novel [1,2,4]-triazolo-[1,3,4]oxadiazole (8), [1,2,4]-triazolo-[1,3,4]oxadiazole thioethers (9a-b), [1,2,4]-triazolo-[1,3,4]oxadiazole arylidines (10a-g), and bis[1,2,4]-triazole (11) derivatives were prepared with the objective of developing better antimicrobial activity. The structures of the compounds were elucidated by spectral analysis. The newly synthesized compounds (8), (9a-b), (10a-g), and (11) were screened for their antimicrobial activity. Among all the tested compounds (10b) shows significant antibacterial activity.

  DOI：

  10.1007/s00044-012-0332-3