HCID22030914

1-(3-Hydroxypropyl)-1,2,3-triazole

3-(triazol-1-yl)propan-1-ol

C5H9N3O127.14 g/mol

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IDENTITY

结构与身份

标准SMILES: OCCCn1ccnn1
InChIKey: QMJQIUUJHFIHEO-UHFFFAOYSA-N
分子式: C5H9N3O
平均分子量: 127.14 g/mol
单同位素质量: 127.07456192

COMPUTED

结构计算性质

已同步

XLogP: -0.7
极性表面积: 50.9 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 9
形式电荷: 0
复杂度: 78

ALIASES

名称与别名

共 9 条

288385-51-31-(3-hydroxypropyl)-1,2,3-triazoleSCHEMBL724736SCHEMBL1098635QMJQIUUJHFIHEO-UHFFFAOYSA-N3-(1,2,3-triazol-1-yl)propanol3-(1,2,3-triazol-1-yl)propan-1-olDB-3224223-(1H-1,2,3-Triazol-1-yl)propan-1-ol

REACTIONS

参与反应

9 条

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08492560B2

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08492560B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09221790B2

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uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09221790B2

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uspto-grants-2006_07 · 10.6084/m9.figshare.5104873.v1 · US07074800B1

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uspto-grants-2006_07 · 10.6084/m9.figshare.5104873.v1 · US07074800B1

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uspto-grants-2008_05 · 10.6084/m9.figshare.5104873.v1 · US07371765B2

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