Basic information
- Standard SMILES
O=C1CC2CNCCN2c2ccccc2N1- InChIKey
KJAMFSAVPOELPN-UHFFFAOYSA-N- Molecular formula
- C12H15N3O
- Average molar mass
- 217.27 g/mol
Names & identifiers
- Preferred name
- 1,2,3,4,4a,5-Hexahydropyrazino[1,2-a][1,5]benzodiazepin-6(7h)-one
- IUPAC
- 2,3,4,4a,5,7-hexahydro-1H-pyrazino[1,2-a][1,5]benzodiazepin-6-one
Names & synonyms
SCHEMBL2014604KJAMFSAVPOELPN-UHFFFAOYSA-N1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,5]benzodiazepin-6(7h)-one
Database identifiers
- PubChem CID
- 49764166
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Related reactions
9 records
Compound notes
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