3-chloro-6-(1-methylhydrazin-1-yl)pyridazine

• ChemBase ID: 89311
• Molecular Formular: C5H7ClN4
• Molecular Mass: 158.58888
• Monoisotopic Mass: 158.03592392
• SMILES: n1nc(ccc1Cl)N(N)C
• Canonical SMILES: CN(c1ccc(nn1)Cl)N
• InChI: InChI=1S/C5H7ClN4/c1-10(7)5-3-2-4(6)8-9-5/h2-3H,7H2,1H3
• InChIKey: RPBZJGTXXMJLGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(1-methylhydrazin-1-yl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(1-methylhydrazin-1-yl)pyridazine
• Synonyms: N-(3-Chloropyridazin-6-yl)-N-methylhydrazine

Database IDs

• MDL Number: MFCD00052661
• PubChem SID: 162076192
• PubChem CID: 2735815

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6136487
• LogD (pH = 7.4): 0.6327923
• Log P: 0.63304156
• Molar Refractivity: 53.456 cm^3
• Polarizability: 14.944843 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true