N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethylmethanimidamide

• ChemBase ID: 79068
• Molecular Formular: C9H13ClN4
• Molecular Mass: 212.67932
• Monoisotopic Mass: 212.08287412
• SMILES: N(=C\N(C)C)/c1c(c(c(nn1)Cl)C)C
• Canonical SMILES: CN(/C=N/c1nnc(c(c1C)C)Cl)C
• InChI: InChI=1S/C9H13ClN4/c1-6-7(2)9(11-5-14(3)4)13-12-8(6)10/h5H,1-4H3
• InChIKey: WKUYOZUIYBNZED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethylmethanimidamide
• IUPAC Traditional name: N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethylmethanimidamide
• Synonyms: N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyliminoformamide

Database IDs

• MDL Number: MFCD00103736
• PubChem SID: 162043831
• PubChem CID: 6823747

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3193452
• LogD (pH = 7.4): 1.5690271
• Log P: 1.8276035
• Molar Refractivity: 62.8808 cm^3
• Polarizability: 21.421068 Å^3
• Polar Surface Area: 41.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true