3-(hydroxymethyl)-6a,7,9,10-tetrahydro-[1,4]oxazino[4,3-a]pyrido[3,2-e]pyrazin-6(5H)-one
Basic information
- Standard SMILES
O=C1Nc2cc(CO)cnc2N2CCOCC12- InChIKey
AKUHVZVWKVWQGT-UHFFFAOYSA-N- Molecular formula
- C11H13N3O3
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.09569129
Names & identifiers
- Preferred name
- 3-(hydroxymethyl)-6a,7,9,10-tetrahydro-[1,4]oxazino[4,3-a]pyrido[3,2-e]pyrazin-6(5H)-one
- IUPAC
- 5-(hydroxymethyl)-12-oxa-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
Names & synonyms
SCHEMBL710604AKUHVZVWKVWQGT-UHFFFAOYSA-N3-(hydroxymethyl)-6a,7,9,10-tetrahydro-[1,4]oxazino[4,3-a]pyrido[3,2-e]pyrazin-6(5H)-one
Database identifiers
- PubChem CID
- 58324381
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Related reactions
18 records
Compound notes
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