1-(1-cyclopropylethyl)-3-methyl-4H-1,2,4-triazine-5,6-dione | 1236850-44-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(1-cyclopropylethyl)-3-methyl-4H-1,2,4-triazine-5,6-dione
• CAS: 1236850-44-4
• 化学式: C₉H₁₃N₃O₂
• 分子量: 195.221
• InChiKey: RJKQCKFIUVBIPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  三氟甲磺酸酐 、 1-(1-cyclopropylethyl)-3-methyl-4H-1,2,4-triazine-5,6-dione 在 2,4,6-三甲基吡啶 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  5-Arylamino-1,2,4-triazin-6(1H)-one CRF1 receptor antagonists

  摘要：

  A series of 5-arylamino-1,2,4-triazin-6(1H)-ones was synthesized and evaluated as antagonists at the corticotropin releasing factor receptor. Formation of CYP-mediated oxidative reactive metabolites previously observed in a related N-3-phenylpyrazinone structure was minimized by incorporation of the additional ring nitrogen found in the triazinones. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.121
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 生成 1-(1-cyclopropylethyl)-3-methyl-4H-1,2,4-triazine-5,6-dione
  参考文献：
  名称：

  5-Arylamino-1,2,4-triazin-6(1H)-one CRF1 receptor antagonists

  摘要：

  A series of 5-arylamino-1,2,4-triazin-6(1H)-ones was synthesized and evaluated as antagonists at the corticotropin releasing factor receptor. Formation of CYP-mediated oxidative reactive metabolites previously observed in a related N-3-phenylpyrazinone structure was minimized by incorporation of the additional ring nitrogen found in the triazinones. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.121