5,6-dimethyl-3-(pyrrolidin-1-yl)pyridazine-4-carboxamide

• ChemBase ID: 275215
• Molecular Formular: C11H16N4O
• Molecular Mass: 220.27094
• Monoisotopic Mass: 220.13241115
• SMILES: c1(c(nnc(c1C)C)N1CCCC1)C(=O)N
• Canonical SMILES: NC(=O)c1c(nnc(c1C)C)N1CCCC1
• InChI: InChI=1S/C11H16N4O/c1-7-8(2)13-14-11(9(7)10(12)16)15-5-3-4-6-15/h3-6H2,1-2H3,(H2,12,16)
• InChIKey: IBEOPPSHIJDGJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-3-(pyrrolidin-1-yl)pyridazine-4-carboxamide
• IUPAC Traditional name: 5,6-dimethyl-3-(pyrrolidin-1-yl)pyridazine-4-carboxamide
• Synonyms: 5,6-dimethyl-3-(pyrrolidin-1-yl)pyridazine-4-carboxamide

Database IDs

• MDL Number: MFCD18917294
• PubChem SID: 164331125
• PubChem CID: 54593584

CALCULATED PROPERTIES

• Acid pKa: 13.448907
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.37010375
• LogD (pH = 7.4): 0.3794145
• Log P: 0.37953416
• Molar Refractivity: 64.7586 cm^3
• Polarizability: 22.713078 Å^3
• Polar Surface Area: 72.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211 - 213°C
• Hydrophobicity(logP): 0.526

Product Information

• Purity: 95%