HCID12099554

1-methyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepine

1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine

C11H12N4200.24 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1nnc2n1-c1ccccc1NCC2
InChIKey: OSYMOIHZFYBDKJ-UHFFFAOYSA-N
分子式: C11H12N4
平均分子量: 200.24 g/mol
单同位素质量: 200.1061964

COMPUTED

结构计算性质

等待补全

XLogP: 1.5
极性表面积: 42.7 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 0
重原子: 15
形式电荷: 0
复杂度: 233

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

CHEMBL4741964SCHEMBL7338366OSYMOIHZFYBDKJ-UHFFFAOYSA-NBDBM505580661-methyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepine5,6-dihydro-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine

REACTIONS

参与反应

15 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05733905

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05733905

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uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05624923

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05516774

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1999_03 · 10.6084/m9.figshare.5104873.v1 · US05889001

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uspto-grants-1999_03 · 10.6084/m9.figshare.5104873.v1 · US05889001

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