N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide

• ChemBase ID: 78959
• Molecular Formular: C7H9ClN4
• Molecular Mass: 184.62616
• Monoisotopic Mass: 184.05157399
• SMILES: N(=C\N(C)C)/c1ccc(nn1)Cl
• Canonical SMILES: CN(/C=N/c1ccc(nn1)Cl)C
• InChI: InChI=1S/C7H9ClN4/c1-12(2)5-9-7-4-3-6(8)10-11-7/h3-5H,1-2H3
• InChIKey: PXNSZQOCCRKKAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide
• IUPAC Traditional name: N'-(6-chloropyridazin-3-yl)-N,N-dimethylmethanimidamide
• Synonyms: N'-(6-chloropyridazin-3-yl)-N,N-dimethyliminoformamide

Database IDs

• MDL Number: MFCD00112306
• PubChem SID: 162043722
• PubChem CID: 6802247

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6844704
• LogD (pH = 7.4): 0.5630095
• Log P: 0.8007607
• Molar Refractivity: 52.7984 cm^3
• Polarizability: 17.909615 Å^3
• Polar Surface Area: 41.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true