8-phenyl-2-(3-pyridyl)[1,2,4]triazolo[1,5-d][1,2,4]triazin-5(6H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 8-phenyl-2-(3-pyridyl)[1,2,4]triazolo[1,5-d][1,2,4]triazin-5(6H)-one
• 英文别名: 8-Phenyl-2-(3-pyridyl)[1,2,4]triazolo[1,5-d]-[1,2,4]triazin-5(6h)-one；8-phenyl-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-d][1,2,4]triazin-5-one
• 化学式: C₁₅H₁₀N₆O
• 分子量: 290.284
• InChiKey: AJEYPUBTDDSIKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-吡啶甲酰肼 、 6-phenyl-1,2,4-triazin-3-one 在 三乙胺 作用下， 以 硝基苯 为溶剂， 以34%的产率得到8-phenyl-2-(3-pyridyl)[1,2,4]triazolo[1,5-d][1,2,4]triazin-5(6H)-one
  参考文献：
  名称：

  Synthesis of 8-Aryl[1,2,4]triazolo[1,5-d][1,2,4]triazin-5(6H)-ones by S HN Reactions

  摘要：

  A new procedure has been proposed for the synthesis of 8-aryl[1,2,4]triazolo[1,5-d][1,2,4]-triazin-5(6H)-ones by reaction of 6-aryl-1,2,4-triazin-3(2H)-ones with hydrazides derived from aliphatic, aromatic, and heterocyclic carboxylic acids. The process invloves nucleophilic substitution of hydrogen (S-N(H)) in aryltriazinones, oxidative closure of azole ring and Dimroth rearrangement.

  DOI：

  10.1023/b:rujo.0000034914.87626.86

文献信息

• Synthesis of 8-Aryl[1,2,4]triazolo[1,5-d][1,2,4]triazin-5(6H)-ones by S HN Reactions
  作者：V. L. Rusinov、G. V. Zyryanov、I. N. Egorov、E. N. Ulomskii、G. G. Aleksandrov、O. N. Chupakhin

  DOI：10.1023/b:rujo.0000034914.87626.86

  日期：2004.1

  A new procedure has been proposed for the synthesis of 8-aryl[1,2,4]triazolo[1,5-d][1,2,4]-triazin-5(6H)-ones by reaction of 6-aryl-1,2,4-triazin-3(2H)-ones with hydrazides derived from aliphatic, aromatic, and heterocyclic carboxylic acids. The process invloves nucleophilic substitution of hydrogen (S-N(H)) in aryltriazinones, oxidative closure of azole ring and Dimroth rearrangement.