2-methyl-s-triazolo<1,5-c>-pyrimidin-5(6H)-one | 76044-32-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 2-methyl-s-triazolo<1,5-c>-pyrimidin-5(6H)-one
• 英文别名: 2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one；2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
• CAS: 76044-32-1
• 化学式: C₆H₆N₄O
• 分子量: 150.14
• InChiKey: RCZYPIBCTAXEOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• 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：

  2-methyl-s-triazolo<1,5-c>-pyrimidin-5(6H)-one 在 氨 、 N,N-二乙基苯胺 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 44.33h， 生成 N,N-dimethyl-N'-(2-methyl-s-triazolo<1,5-c>pyrimidin-5-yl)formamidine
  参考文献：
  名称：

  Brown, Desmond J.; Shinozuka, Kazuo, Australian Journal of Chemistry, 1980, vol. 33, # 5, p. 1147 - 1152

  摘要：

  DOI：
• 作为产物：
  描述：

  3-methyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one 以 乙醇 为溶剂， 生成 2-methyl-s-triazolo<1,5-c>-pyrimidin-5(6H)-one
  参考文献：
  名称：

  The First Reliable, General Synthesis of the 5-Oxo Derivatives of 5,6-Dihydro-1,2,4-triazolo[4,3-c]pyrimidine and the Rates of Isomerization of the [4,3-c] Compounds into Their [1,5-c] Isomers

  摘要：

  This paper describes a reliable synthesis of the 5-oxo derivatives (8) of 5,6-dihydro-1,2,4-triazolo[4,3-c]pyrimidine, by the reaction of 2-oxo-1,2-dihydropyrimidin-4-ylhydrazines (7) with the appropriate triethyl orthoesters in trifluoroacetic acid below 30 degreesC or by the oxidative cyclization of their aldehyde hydrazones (10) with 70% nitric acid in trifluoroacetic acid below 40 degreesC, and the rates of isomerization of the [4,3-c] compounds (8) into the [1,5-c] isomers (9).

  DOI：

  10.3987/com-02-9450

文献信息

• [EN] FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'HÉTÉROARYLES FUSIONNÉS EN TANT QU'ANTAGONISTES DES RÉCEPTEURS DES ORÉXINES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016101119A1

  公开（公告）日：2016-06-30

  Fused heteroaryl derivative compounds which are antagonists of orexin receptors are provided. The compounds can be used in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. Also provided is a composition which comprises the compound can be use to prevent or treat such diseases in which orexin receptors are involved.

  提供了与异杂环衍生物化合物，这些化合物是促进睡眠的受体拮抗剂。这些化合物可用于潜在治疗或预防涉及促进睡眠的受体的神经和精神疾病。还提供了一种包含该化合物的组合物，可用于预防或治疗涉及促进睡眠的受体的这类疾病。
• BROWN D. J.; SHINOZUKA KAZUO, AUSTRAL. J. CHEM., 1980, 33, NO 5, 1147-1152
  作者：BROWN D. J.、 SHINOZUKA KAZUO

  DOI：——

  日期：——
• FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20180370973A1

  公开（公告）日：2018-12-27

  The present invention is directed to fused heteroaryl derivative compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.
• [EN] FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'HÉTÉROARYLE FUSIONNÉS UTILISÉS COMME ANTAGONISTES DE RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016106106A2

  公开（公告）日：2016-06-30

  The present invention is directed to fused heteroaryl derivative compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.