Basic information
- Standard SMILES
Cn1cc(Br)nc(Nc2ccc(CO)cc2)c1=O- InChIKey
PUOQZPWTNMJDRO-UHFFFAOYSA-N- Molecular formula
- C12H12BrN3O2
- Average molar mass
- 310.15 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-3-(4-hydroxymethyl-phenylamino)-1-methyl-1H-pyrazin-2-one
- IUPAC
- 5-bromo-3-[4-(hydroxymethyl)anilino]-1-methylpyrazin-2-one
Names & synonyms
SCHEMBL1067997PUOQZPWTNMJDRO-UHFFFAOYSA-N5-Bromo-3-(4-hydroxymethyl-phenylamino)-1-methyl-1H-pyrazin-2-one
Database identifiers
- PubChem CID
- 58728996
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
Related reactions
3 records
Compound notes
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