(6Z)-6-[(1H-1,2,4-triazol-5-ylamino)methylidene]cyclohexa-2,4-dien-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (6Z)-6-[(1H-1,2,4-triazol-5-ylamino)methylidene]cyclohexa-2,4-dien-1-one
• 化学式: C₉H₈N₄O
• 分子量: 188.189
• InChiKey: DSDUBKQAFSRRCQ-ALCCZGGFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 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：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-[(1H-[1,2,4]triazol-3-ylimino)-methyl]-phenol 以 水 为溶剂， 生成 (6Z)-6-[(1H-1,2,4-triazol-5-ylamino)methylidene]cyclohexa-2,4-dien-1-one
  参考文献：
  名称：

  Photoluminescence and labelling for microcrack bone of N-salicylidene-3-amino-1,2,4-triazole

  摘要：

  A new Schiff base of N-salicylidene-3-amino-1,2,4-triazole (SAT) was synthesized and its photoluminescent, photochromic and thermochromic properties were characterized and demonstrated. The fluorescence lifetime and quantum yield of SAT were measured and the microcrack bone imaging using SAT as a fluorescent label was observed by laser scanning confocal microscope (LSCM). The absorption spectrum of SAT was demonstrated using DFF/TD-DFT calculation. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.10.121