3-methylpyridazin-4-amine hydrochloride

• ChemBase ID: 248193
• Molecular Formular: C5H8ClN3
• Molecular Mass: 145.59012
• Monoisotopic Mass: 145.04067495
• SMILES: n1c(c(N)ccn1)C.Cl
• Canonical SMILES: Nc1ccnnc1C.Cl
• InChI: InChI=1S/C5H7N3.ClH/c1-4-5(6)2-3-7-8-4;/h2-3H,1H3,(H2,6,7);1H
• InChIKey: AAQJYQRQAUSXSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyridazin-4-amine hydrochloride
• IUPAC Traditional name: 3-methylpyridazin-4-amine hydrochloride
• Synonyms: 3-methylpyridazin-4-amine hydrochloride

Database IDs

• PubChem SID: 164304103
• PubChem CID: 71758406

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.228876
• LogD (pH = 7.4): -1.0205634
• Log P: -0.92175233
• Molar Refractivity: 33.0563 cm^3
• Polarizability: 11.4478245 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.01

Product Information

• Purity: 95%