1,2,4-三唑-1-基甲胺 | 879688-74-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,2,4-三唑-1-基甲胺
• 英文名称: aminomethyl-1,2,4-triazole
• 英文别名: 1-(1H-1,2,4-Triazol-1-yl)methanamine；1,2,4-triazol-1-ylmethanamine
• CAS: 879688-74-1
• 化学式: C₃H₆N₄
• 分子量: 98.1074
• InChiKey: WHCVYGBHPYAFGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  56.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2,4-三唑-1-基甲胺 、 5,6-二羟基-2-噻吩-2-基-嘧啶-4-羧酸甲酯 生成 5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid ([1,2,4]triazol-1-ylmethyl)-amide
  参考文献：
  名称：

  From dihydroxypyrimidine carboxylic acids to carboxamide HIV-1 integrase inhibitors: SAR around the amide moiety

  摘要：

  4,5-Dihyroxypyrimidine carboxamides, which evolved from a related series of HCV NS5b polymerase inhibitors, have been optimized to provide selective HIV integrase strand transfer inhibitors. Extensive SAR around the benzylamide moiety led to the identification of the p-fluorobenzylamide as optimal in the enzymatic assay. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.054

文献信息

• From dihydroxypyrimidine carboxylic acids to carboxamide HIV-1 integrase inhibitors: SAR around the amide moiety
  作者：Alessia Petrocchi、Uwe Koch、Victor G. Matassa、Barbara Pacini、Kara A. Stillmock、Vincenzo Summa

  DOI：10.1016/j.bmcl.2006.10.054

  日期：2007.1

  4,5-Dihyroxypyrimidine carboxamides, which evolved from a related series of HCV NS5b polymerase inhibitors, have been optimized to provide selective HIV integrase strand transfer inhibitors. Extensive SAR around the benzylamide moiety led to the identification of the p-fluorobenzylamide as optimal in the enzymatic assay. (c) 2006 Elsevier Ltd. All rights reserved.