Basic information
- Standard SMILES
Cc1cnc(CO)c[n+]1[O-]- InChIKey
PDEVNIDZKWLJDC-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxymethyl-5-methylpyrazine-4-oxide
- IUPAC
- (5-methyl-4-oxidopyrazin-4-ium-2-yl)methanol
Names & synonyms
2-Hydroxymethyl-5-methylpyrazine-4-oxideSCHEMBL10519576PDEVNIDZKWLJDC-UHFFFAOYSA-N2-hydroxymethyl-5-methyl-pyrazine-4-oxide
Database identifiers
- PubChem CID
- 13023005
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Related reactions
5 records
Compound notes
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