Basic information
- Standard SMILES
Nc1cccc2c1C(=O)NCCN2- InChIKey
YAXLNOWDSXYRBV-UHFFFAOYSA-N- Molecular formula
- C9H11N3O
- Average molar mass
- 177.2 g/mol
Names & identifiers
- Preferred name
- 6-Amino-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one
- IUPAC
- 6-amino-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
Names & synonyms
SCHEMBL2062922YAXLNOWDSXYRBV-UHFFFAOYSA-N6-amino-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one6-amino-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one1022963-40-1
Database identifiers
- PubChem CID
- 67264751
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Related reactions
3 records
Compound notes
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