N-benzyl-6-chloro-N-methylpyridazin-3-amine

• ChemBase ID: 123625
• Molecular Formular: C12H12ClN3
• Molecular Mass: 233.69678
• Monoisotopic Mass: 233.07197508
• SMILES: n1c(N(Cc2ccccc2)C)ccc(n1)Cl
• Canonical SMILES: Clc1ccc(nn1)N(Cc1ccccc1)C
• InChI: InChI=1S/C12H12ClN3/c1-16(9-10-5-3-2-4-6-10)12-8-7-11(13)14-15-12/h2-8H,9H2,1H3
• InChIKey: COMNEAHRVDUXCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-6-chloro-N-methylpyridazin-3-amine
• IUPAC Traditional name: N-benzyl-6-chloro-N-methylpyridazin-3-amine
• Synonyms: N-benzyl-6-chloro-N-methylpyridazin-3-amine

Database IDs

• PubChem SID: 162217978
• PubChem CID: 14517681

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0268147
• LogD (pH = 7.4): 3.0269976
• Log P: 3.0269997
• Molar Refractivity: 68.9852 cm^3
• Polarizability: 24.891434 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true