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

• ChemBase ID: 79050
• Molecular Formular: C8H11ClN4
• Molecular Mass: 198.65274
• Monoisotopic Mass: 198.06722405
• SMILES: N(=C(\N(C)C)/C)/c1ccc(nn1)Cl
• Canonical SMILES: CN(/C(=N/c1ccc(nn1)Cl)/C)C
• InChI: InChI=1S/C8H11ClN4/c1-6(13(2)3)10-8-5-4-7(9)11-12-8/h4-5H,1-3H3
• InChIKey: NHXNBGBJOOYSEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide
• IUPAC Traditional name: N'-(6-chloropyridazin-3-yl)-N,N-dimethylethanimidamide
• Synonyms: N'1-(6-chloropyridazin-3-yl)-N1,N1-dimethylethanimidamide

Database IDs

• MDL Number: MFCD00117560
• PubChem SID: 162043813
• PubChem CID: 6822216

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.77807534
• LogD (pH = 7.4): 0.4249771
• Log P: 0.84945935
• Molar Refractivity: 57.2889 cm^3
• Polarizability: 19.73917 Å^3
• Polar Surface Area: 41.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true