HCID22328792

3-Benzothiazol-2-yl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine

2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-benzothiazole

C12H11N5S257.32 g/mol

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IDENTITY

结构与身份

标准SMILES: c1ccc2sc(-c3nnc4n3CCNC4)nc2c1
InChIKey: DBPFJFJPPAFRIM-UHFFFAOYSA-N
分子式: C12H11N5S
平均分子量: 257.32 g/mol
单同位素质量: 257.07351655

COMPUTED

结构计算性质

已同步

XLogP: 0.7
极性表面积: 83.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 1
重原子: 18
形式电荷: 0
复杂度: 315

ALIASES

名称与别名

共 4 条

SCHEMBL6294673DBPFJFJPPAFRIM-UHFFFAOYSA-N3-Benzothiazol-2-yl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine3-Benzothiazol-2-yl-5.6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine

REACTIONS

参与反应

10 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06602875B2

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uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06602875B2

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06660740B1

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06660740B1

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uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06936600B2

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uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06936600B2

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uspto-grants-2005_03 · 10.6084/m9.figshare.5104873.v1 · US06869943B2

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