3-methyl-1-(6-methylpyridazin-3-yl)-1H-pyrazol-5-amine

• ChemBase ID: 286628
• Molecular Formular: C9H11N5
• Molecular Mass: 189.21714
• Monoisotopic Mass: 189.10144538
• SMILES: n1(c(cc(n1)C)N)c1nnc(cc1)C
• Canonical SMILES: Cc1ccc(nn1)n1nc(cc1N)C
• InChI: InChI=1S/C9H11N5/c1-6-3-4-9(12-11-6)14-8(10)5-7(2)13-14/h3-5H,10H2,1-2H3
• InChIKey: AXPZNNNQJRCCGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(6-methylpyridazin-3-yl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-amine
• Synonyms: 3-methyl-1-(6-methylpyridazin-3-yl)-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD09882241
• PubChem SID: 180672159
• PubChem CID: 24253002

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.029207101
• LogD (pH = 7.4): -0.020921575
• Log P: -0.020815134
• Molar Refractivity: 55.5763 cm^3
• Polarizability: 19.627457 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -0.077

Product Information

• Purity: 95%