5,6-dimethylpyrazine-2-carboxamide

• ChemBase ID: 292579
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: Cc1ncc(nc1C)C(=O)N
• Canonical SMILES: NC(=O)c1cnc(c(n1)C)C
• InChI: InChI=1S/C7H9N3O/c1-4-5(2)10-6(3-9-4)7(8)11/h3H,1-2H3,(H2,8,11)
• InChIKey: LWKNZCZUCZLNDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethylpyrazine-2-carboxamide
• IUPAC Traditional name: 5,6-dimethylpyrazine-2-carboxamide
• Synonyms: 5,6-Dimethylpyrazine-2-carboxamide

Database IDs

• CAS Number: 344326-14-3
• PubChem SID: 180678110
• PubChem CID: 12571040

CALCULATED PROPERTIES

• Acid pKa: 13.508736
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9628696
• LogD (pH = 7.4): -0.9628678
• Log P: -0.9628681
• Molar Refractivity: 39.6336 cm^3
• Polarizability: 14.943759 Å^3
• Polar Surface Area: 68.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%