3-aminopyrazine-2-carboxamide

• ChemBase ID: 288629
• Molecular Formular: C5H6N4O
• Molecular Mass: 138.12734
• Monoisotopic Mass: 138.05416083
• SMILES: O=C(c1nccnc1N)N
• Canonical SMILES: NC(=O)c1nccnc1N
• InChI: InChI=1S/C5H6N4O/c6-4-3(5(7)10)8-1-2-9-4/h1-2H,(H2,6,9)(H2,7,10)
• InChIKey: SFSMATGDLFHTHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopyrazine-2-carboxamide
• IUPAC Traditional name: 3-aminopyrazine-2-carboxamide
• Synonyms: 3-Aminopyrazine-2-carboxamide

Database IDs

• CAS Number: 32587-10-3
• PubChem SID: 180674160
• PubChem CID: 280292

CALCULATED PROPERTIES

• Acid pKa: 13.572641
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8100931
• LogD (pH = 7.4): -0.8100768
• Log P: -0.81007683
• Molar Refractivity: 35.4645 cm^3
• Polarizability: 12.608724 Å^3
• Polar Surface Area: 94.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%