Basic information
- Standard SMILES
O=c1c2c(nc3n1CCC3)CCC2- InChIKey
BRFWYALXFLAMPV-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- Pyrido-pyrimidinone analog (rings=565)
- IUPAC
- 1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
Names & synonyms
DTXSID60875953RefChem:377433DTXCID901014069NOCAS_8759533H-Pyrimidin-4-one, 2,3:5,6-bis-trimethylenoCHEMBL35993BRFWYALXFLAMPV-UHFFFAOYSA-N1,2,3,5,6,7-Hexahydro-9H-cyclopenta[d]pyrrolo[1,2-a]pyrimidin-9-one1,2,3,5,6,7-Hexahydro-3a,8-diaza-s-indacen-4-one
Database identifiers
- PubChem CID
- 523977
- DTXSID
DTXSID60875953- ChEMBL
CHEMBL35993- Nikkaji
- J401.005A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
LogP0.22
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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