N-methylpyridazin-3-amine

• ChemBase ID: 275268
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: n1ncccc1NC
• Canonical SMILES: CNc1cccnn1
• InChI: InChI=1S/C5H7N3/c1-6-5-3-2-4-7-8-5/h2-4H,1H3,(H,6,8)
• InChIKey: TWLUCQHODWVRCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpyridazin-3-amine
• IUPAC Traditional name: N-methylpyridazin-3-amine
• Synonyms: N-methylpyridazin-3-amine

Database IDs

• MDL Number: MFCD16767565
• PubChem SID: 164331178
• PubChem CID: 19831906

CALCULATED PROPERTIES

• Acid pKa: 19.91614
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1801691
• LogD (pH = 7.4): -0.15726094
• Log P: -0.1569609
• Molar Refractivity: 34.2717 cm^3
• Polarizability: 11.525995 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.375

Product Information

• Purity: 95%