2-(1,5-diethyl-1,2,4-triazol-3-yl)acetohydrazide | 817568-72-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1,5-diethyl-1,2,4-triazol-3-yl)acetohydrazide
• CAS: 817568-72-2
• 化学式: C₈H₁₅N₅O
• 分子量: 197.24
• InChiKey: WQUZQLWYYDELQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.61
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  85.83
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 2-(1,5-diethyl-1,2,4-triazol-3-yl)acetohydrazide 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以79%的产率得到5-(1,5-Diethyl-1H-[1,2,4]triazol-3-ylmethyl)-3H-[1,3,4]oxadiazole-2-thione
  参考文献：
  名称：

  Synthesis, antitumor and antiviral properties of some 1,2,4-triazole derivatives

  摘要：

  A series of 1,5-dialkyl-1,2,4-triazole derivatives of acetic acid alkylidene hydrazides 8-12, the acid 13, 1,5-dialkyl-3-(5-mercapto-4-N-aryl-1H-[1,2,4]-triazol-3-ylmethylene)-1H-[1,2,4] triazoles 14-16, their 1,3,4-oxadiazole analogues 17-21, as well as the 1,2,4-triazolo-indoles 25 and 27 were prepared. The Z/E conformations of some acetic acid alkylidene derivatives were studied by NMR spectroscopy. Most of the target compounds were evaluated in a series of human cancer cell in cultures and none have shown activity except 25 which exhibited remarkable activity against nine cancer types. No in vitro antiviral activity against HIV-1, HIV-2, HSV-1, HSV-2, SV, CV-B4, RSV, P3V, RV, SinV, PTV has been found for all the synthesized compounds.

  DOI：

  10.1016/j.farmac.2004.05.006
• 作为产物：
  描述：

  3.3-Dichlor-<3.3'-azo-n-pentan> 、 氰乙酸乙酯 在 氯化锑(V) 、 一水合肼 作用下， 以 二氯甲烷 、 乙醇 为溶剂， 反应 79.0h， 生成 2-(1,5-diethyl-1,2,4-triazol-3-yl)acetohydrazide
  参考文献：
  名称：

  Synthesis, antitumor and antiviral properties of some 1,2,4-triazole derivatives

  摘要：

  A series of 1,5-dialkyl-1,2,4-triazole derivatives of acetic acid alkylidene hydrazides 8-12, the acid 13, 1,5-dialkyl-3-(5-mercapto-4-N-aryl-1H-[1,2,4]-triazol-3-ylmethylene)-1H-[1,2,4] triazoles 14-16, their 1,3,4-oxadiazole analogues 17-21, as well as the 1,2,4-triazolo-indoles 25 and 27 were prepared. The Z/E conformations of some acetic acid alkylidene derivatives were studied by NMR spectroscopy. Most of the target compounds were evaluated in a series of human cancer cell in cultures and none have shown activity except 25 which exhibited remarkable activity against nine cancer types. No in vitro antiviral activity against HIV-1, HIV-2, HSV-1, HSV-2, SV, CV-B4, RSV, P3V, RV, SinV, PTV has been found for all the synthesized compounds.

  DOI：

  10.1016/j.farmac.2004.05.006