1-vinyl-3-acetamino-1,2,4-triazole | 114607-36-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-vinyl-3-acetamino-1,2,4-triazole
• 英文别名: N-(1-ethenyl-1,2,4-triazol-3-yl)acetamide
• CAS: 114607-36-2
• 化学式: C₆H₈N₄O
• 分子量: 152.156
• InChiKey: UYTPJSLTMUOMEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-vinyl-3-acetamino-1,2,4-triazole 、 氢氧化钾 以71%的产率得到
  参考文献：
  名称：

  BOLSHEDVORSKAYA R. L.; GAREEV G. A.; PAVLOVA G. A.; VERESHCHAGIN L. I.; C+, OSNOV. ORGAN. SINTEZ I NEFTEXIMIYA,(1986) N 22, 96-102

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(2H-1,2,4-三唑-3-基)乙酰胺 、 乙酸乙烯酯 以72%的产率得到
  参考文献：
  名称：

  BOLSHEDVORSKAYA R. L.; GAREEV G. A.; PAVLOVA G. A.; VERESHCHAGIN L. I.; C+, OSNOV. ORGAN. SINTEZ I NEFTEXIMIYA,(1986) N 22, 96-102

  摘要：

  DOI：

文献信息

• Mononuclear coordination compounds based on a novel chelating triazole ligand: 1-vinyl-3-acetylamino-1,2,4-triazole
  作者：Mark B. Bushuev、Alexander V. Virovets、Yann Garcia、Christine Gieck、Lilia A. Sheludyakova、Vladimir N. Ikorskii、Wolfgang Tremel、Philipp Gütlich、Ludmila G. Lavrenova

  DOI：10.1016/s0277-5387(02)00844-6

  日期：2002.4

  The synthesis, X-ray structure, magnetic and spectroscopic properties of new Co(II), Ni(II) and Cu(II) complexes with 1-vinyl-3-acetylamino-1,2,4-triazole (vaat) are reported. The crystal structures of [Ni(vaat)(2)(H2O)(2)](NO3)(2) and [Cu(vaat)(2)(H2O)(2)]Cl-2 have been determined by X-ray diffraction. In these mononuclear complexes, the metal ion is surrounded by two water molecules in axial positions and two oxygen and two nitrogen (N4) atoms coming from two trans-oriented chelating vaat molecules. Anions are noncoordinated and are involved in a hydrogen bonding network. The complex cations of [Cu(vaat)(2)(H2O)(2)]Cl-2 are aligned within chains. In the structure of [Ni(vaat)(2)(H2O)(2)](NO3)(2) the nitrate anions establish a bridge in the plane by hydrogen bonding giving a 2D character for this compound. In addition, a colour change from pink to blue upon heating has been observed for [Co(vaat)(2)(H2O)(2)]Cl-2, which is due to the removal of the two coordinated water molecules and the subsequent molecular reorganisation of the molecular structure. (C) 2002 Elsevier Science Ltd. All rights reserved.