4-methyl-6-phenylpyridazin-3-amine

• ChemBase ID: 77537
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: n1nc(c(cc1c1ccccc1)C)N
• Canonical SMILES: Cc1cc(nnc1N)c1ccccc1
• InChI: InChI=1S/C11H11N3/c1-8-7-10(13-14-11(8)12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,14)
• InChIKey: JZUHYRSDTPCHRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-6-phenylpyridazin-3-amine
• IUPAC Traditional name: 4-methyl-6-phenylpyridazin-3-amine
• Synonyms: 3-Amino-4-methyl-6-phenylpyridazine

Database IDs

• CAS Number: 81819-90-1
• MDL Number: MFCD06801344
• PubChem SID: 162042409
• PubChem CID: 603946

CALCULATED PROPERTIES

• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0630443
• LogD (pH = 7.4): 2.087511
• Log P: 2.087832
• Molar Refractivity: 58.5837 cm^3
• Polarizability: 22.446821 Å^3

PROPERTIES

Safety Information

• Storage Warning: Irritant