Basic information
- Standard SMILES
O=C1Nc2cc(CO)cnc2N2CCCCC12- InChIKey
TUCORDXPZRSXKS-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2
- Average molar mass
- 233.27 g/mol
Names & identifiers
- Preferred name
- 3-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one
- IUPAC
- 5-(hydroxymethyl)-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
Names & synonyms
SCHEMBL710523TUCORDXPZRSXKS-UHFFFAOYSA-N3-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one
Database identifiers
- PubChem CID
- 58324475
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
42 records
Compound notes
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