Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![N-[6-(3-amino-4-methylphenoxy)[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide 分子结构式](/api/mol/57749401/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1N
- InChIKey
- OMCIQVDROSCGPY-UHFFFAOYSA-N
- 分子式
- C17H17N5O2
- 平均分子量
- 323.35 g/mol
- 单同位素质量
- 323.1382248
COMPUTED
结构计算性质
- XLogP
- 1.9
- 极性表面积
- 94.5 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 472
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL4281880OMCIQVDROSCGPY-UHFFFAOYSA-NN-[6-(3-amino-4-methylphenoxy)[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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