Basic information
- Standard SMILES
O=C1Nc2cc(CO)cnc2N2CC[C@@H]12- InChIKey
GUZFRSMBRGRKJT-QMMMGPOBSA-N- Molecular formula
- C10H11N3O2
- Average molar mass
- 205.21 g/mol
Names & identifiers
- Preferred name
- (S)-3-(hydroxymethyl)-7,8-dihydro-5H-azeto[1,2-a]pyrido[3,2-e]pyrazin-6(6aH)-one
- IUPAC
- (5S)-10-(hydroxymethyl)-2,7,12-triazatricyclo[6.4.0.02,5]dodeca-1(8),9,11-trien-6-one
Names & synonyms
SCHEMBL710509GUZFRSMBRGRKJT-QMMMGPOBSA-N(S)-3-(hydroxymethyl)-7,8-dihydro-5H-azeto[1,2-a]pyrido[3,2-e]pyrazin-6(6aH)-one
Database identifiers
- PubChem CID
- 58324372
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Related reactions
10 records
Compound notes
Loading…