Basic information
- Standard SMILES
CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1- InChIKey
OZJCLYNKAYQPTB-UHFFFAOYSA-N- Molecular formula
- C14H14N4O3
- Average molar mass
- 286.29 g/mol
- Monoisotopic mass
- 286.10659032
Names & identifiers
- Preferred name
- 3-Amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
- IUPAC
- 3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
Names & synonyms
3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid3-amino-6-(4-(dimethylcarbamoyl)phenyl)pyrazine-2-carboxylic acid1232423-45-8SCHEMBL2480860OZJCLYNKAYQPTB-UHFFFAOYSA-NDB-294170
Database identifiers
- PubChem CID
- 59471750
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Related reactions
8 records
Linked notes
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