1,4-diethyl-1,2,4-triazol-5-one | 4140-60-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4-diethyl-1,2,4-triazol-5-one
• 英文别名: 1,4-diethyl-1,2,4-triazol-5(4H)-one；1,4-Diethyl-1,2,4-triazol-5-on；2,4-diethyl-2,4-dihydro-[1,2,4]triazol-3-one；2,4-diethyl-1,2,4-triazol-3-one
• CAS: 4140-60-7
• 化学式: C₆H₁₁N₃O
• 分子量: 141.173
• InChiKey: BDEDARSZICTWDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  35.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  硫酸二乙酯 、 3-硝基-1,2,4-三氮唑 反应 28.0h， 以68.1%的产率得到4H-1,2,4-三唑,4-乙基-3-硝基-
  参考文献：
  名称：

  3-硝基-1,2,4-三唑与烷基化剂的反应。3.用硫酸二乙酯烷基化中性杂环

  摘要：

  DOI：

  10.1007/s10593-006-0225-9

文献信息

• SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE
  申请人：Andrés-Gil José Ignacio

  公开号：US20100029620A1

  公开（公告）日：2010-02-04

  The present invention concerns substituted triazolone, tetrazolone and imidazolone derivatives according to the general Formula (I) a pharmaceutically acceptable acid or base addition salt thereof, a stereochemically isomeric form thereof, an N-oxide form thereof or a quaternary ammonium salt thereof, wherein the variables are defined in Claim 1 , having selective α 2C -adrenoceptor antagonist activity. It further relates to their preparation, compositions comprising them and their use as a medicine. The compounds according to the invention are useful for the prevention and/or treatment of central nervous system disorders, mood disorders, anxiety disorders, stress-related disorders associated with depression and/or anxiety, cognitive disorders, personality disorders, schizoaffective disorders, Parkinson's disease, dementia of the Alzheimer's type, chronic pain conditions, neurodegenerative diseases, addiction disorders, mood disorders and sexual dysfunction.