3-(hydroxymethyl)-6a,7,9,10-tetrahydro-[1,4]oxazino[4,3-a]pyrido[3,2-e]pyrazin-6(5H)-one

HCID 58324381
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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

Related reactions

18 records
New reaction record

Linked notes

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