5-aminopyrazine-2-carboxamide

• ChemBase ID: 294888
• Molecular Formular: C5H6N4O
• Molecular Mass: 138.12734
• Monoisotopic Mass: 138.05416083
• SMILES: NC(=O)c1ncc(N)nc1
• Canonical SMILES: Nc1cnc(cn1)C(=O)N
• InChI: InChI=1S/C5H6N4O/c6-4-2-8-3(1-9-4)5(7)10/h1-2H,(H2,6,9)(H2,7,10)
• InChIKey: JAVGJSUOZDZWBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopyrazine-2-carboxamide
• IUPAC Traditional name: 5-aminopyrazine-2-carboxamide
• Synonyms: 5-Aminopyrazine-2-carboxamide

Database IDs

• CAS Number: 89323-09-1
• MDL Number: MFCD08705774
• PubChem SID: 180680419
• PubChem CID: 12571036

CALCULATED PROPERTIES

• Acid pKa: 13.946932
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.460086
• LogD (pH = 7.4): -1.4600768
• Log P: -1.4600768
• Molar Refractivity: 35.4645 cm^3
• Polarizability: 12.607415 Å^3
• Polar Surface Area: 94.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%