HCID178467489

4-Cyclobutyl-5-(5-ethoxy-4H-1,2,4-triazol-3-yl)-2-methylbenzonitrile

4-cyclobutyl-5-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzonitrile

C16H18N4O282.34 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOc1nnc(-c2cc(C#N)c(C)cc2C2CCC2)[nH]1
InChIKey: XWALAEROYOGZBB-UHFFFAOYSA-N
分子式: C16H18N4O
平均分子量: 282.34 g/mol
单同位素质量: 282.14806121

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 74.6 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 21
形式电荷: 0
复杂度: 402

ALIASES

名称与别名

共 6 条

SCHEMBL12489300XWALAEROYOGZBB-UHFFFAOYSA-NDB-3811164-Cyclobutyl-5-(5-ethoxy-1H-1,2,4-triazol-3-yl)-2-methylbenzonitrile4-Cyclobutyl-5-(5-ethoxy-4H-1,2,4-triazol-3-yl)-2-methylbenzonitrile1399182-78-5

REACTIONS

参与反应

3 条

uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08871790B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08871790B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08871790B2

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