6-aminopyridazine-3-carboxamide

• ChemBase ID: 240689
• Molecular Formular: C5H6N4O
• Molecular Mass: 138.12734
• Monoisotopic Mass: 138.05416083
• SMILES: c1(nnc(cc1)N)C(=O)N
• Canonical SMILES: Nc1ccc(nn1)C(=O)N
• InChI: InChI=1S/C5H6N4O/c6-4-2-1-3(5(7)10)8-9-4/h1-2H,(H2,6,9)(H2,7,10)
• InChIKey: PUXBHAXHLAOGOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridazine-3-carboxamide
• IUPAC Traditional name: 6-aminopyridazine-3-carboxamide
• Synonyms: 6-aminopyridazine-3-carboxamide

Database IDs

• MDL Number: MFCD16688837
• PubChem SID: 164296599
• PubChem CID: 12200478

CALCULATED PROPERTIES

• Acid pKa: 13.997158
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2223344
• LogD (pH = 7.4): -1.2221763
• Log P: -1.2221744
• Molar Refractivity: 37.4847 cm^3
• Polarizability: 12.614609 Å^3
• Polar Surface Area: 94.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 256 - 258°C
• Hydrophobicity(logP): -1.046

Product Information

• Purity: 95%