N3-[(E)-(5-nitrofuran-2-yl)methylidene]-1H-1,2,4-triazole-3,5-diamine | 1260489-97-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: N3-[(E)-(5-nitrofuran-2-yl)methylidene]-1H-1,2,4-triazole-3,5-diamine
• 英文别名: 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-amine
• CAS: 1260489-97-1
• 化学式: C₇H₆N₆O₃
• 分子量: 222.163
• InChiKey: DGMRFAGTUCZSFD-YCRREMRBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3,5-二氨基-1,2,4-三氮唑 、 5-硝基糠醛 以 甲醇 为溶剂， 反应 3.0h， 以72%的产率得到N3-[(E)-(5-nitrofuran-2-yl)methylidene]-1H-1,2,4-triazole-3,5-diamine
  参考文献：
  名称：

  Design and synthesis of triazole Schiff bases and their oxovanadium(IV) complexes as antimicrobial agents

  摘要：

  A new class of triazole Schiff bases have been prepared by the reaction of 3,5-diamino-1,2,4-triazole with methyl-, chloro-, and nitro-substituted furan-2-carboxaldehydes in an equimolar ratio (1 : 1). The bidentate ligands were characterized by IR, 1H-, and 13C-NMR, microanalysis, and mass spectrometry. The Schiff bases were complexed with vanadyl(IV) sulfate in a molar ratio (M : L) 1 : 2, [M(L)2]SO4 (where L = L1-L5 and M = VIVO) in a square-pyramidal geometry. Invitro antibacterial activity was determined by screening the compounds against four Gram-negative (Escherichia coli, Shigella flexenari, Pseudomonas aeruginosa, and Salmonella typhi) and two Gram-positive (Staphylococcus aureus and Bacillus subtilis) bacterial strains and in-vitro antifungal activity was carried out on Trichophyton longifucus, Candida albican, Aspergillus flavus, Microscopum canis, Fusarium solani, and Candida glaberata strains.

  DOI：

  10.1080/00958972.2010.523783

文献信息

• Design and synthesis of triazole Schiff bases and their oxovanadium(IV) complexes as antimicrobial agents
  作者：Zahid H. Chohan、Sajjad H. Sumrra、Moulay Hfid Youssoufi、Taibi Ben Hadda

  DOI：10.1080/00958972.2010.523783

  日期：2010.11.20

  A new class of triazole Schiff bases have been prepared by the reaction of 3,5-diamino-1,2,4-triazole with methyl-, chloro-, and nitro-substituted furan-2-carboxaldehydes in an equimolar ratio (1 : 1). The bidentate ligands were characterized by IR, 1H-, and 13C-NMR, microanalysis, and mass spectrometry. The Schiff bases were complexed with vanadyl(IV) sulfate in a molar ratio (M : L) 1 : 2, [M(L)2]SO4 (where L = L1-L5 and M = VIVO) in a square-pyramidal geometry. Invitro antibacterial activity was determined by screening the compounds against four Gram-negative (Escherichia coli, Shigella flexenari, Pseudomonas aeruginosa, and Salmonella typhi) and two Gram-positive (Staphylococcus aureus and Bacillus subtilis) bacterial strains and in-vitro antifungal activity was carried out on Trichophyton longifucus, Candida albican, Aspergillus flavus, Microscopum canis, Fusarium solani, and Candida glaberata strains.