N,6-dimethylpyridazin-3-amine

• ChemBase ID: 275089
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1nc(ccc1NC)C
• Canonical SMILES: CNc1ccc(nn1)C
• InChI: InChI=1S/C6H9N3/c1-5-3-4-6(7-2)9-8-5/h3-4H,1-2H3,(H,7,9)
• InChIKey: HYZCFRINYLXCRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethylpyridazin-3-amine
• IUPAC Traditional name: N,6-dimethylpyridazin-3-amine
• Synonyms: N,6-dimethylpyridazin-3-amine

Database IDs

• MDL Number: MFCD14621074
• PubChem SID: 164330999
• PubChem CID: 54593513

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.067730494
• LogD (pH = 7.4): -0.026147524
• Log P: -0.025590736
• Molar Refractivity: 38.8632 cm^3
• Polarizability: 13.288487 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 0.874

Product Information

• Purity: 95%