2-methylimidazo[2,1-a]phthalazin-6-amine

• ChemBase ID: 231692
• Molecular Formular: C11H10N4
• Molecular Mass: 198.2239
• Monoisotopic Mass: 198.09054634
• SMILES: n12c(nc(c2)C)c2c(c(n1)N)cccc2
• Canonical SMILES: Cc1cn2c(n1)c1ccccc1c(n2)N
• InChI: InChI=1S/C11H10N4/c1-7-6-15-11(13-7)9-5-3-2-4-8(9)10(12)14-15/h2-6H,1H3,(H2,12,14)
• InChIKey: QOIJWQJIXFOXCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylimidazo[2,1-a]phthalazin-6-amine
• IUPAC Traditional name: 2-methylimidazo[2,1-a]phthalazin-6-amine
• Synonyms: 2-Methyl-imidazo[2,1-a]phthalazin-6-ylamine

Database IDs

• MDL Number: MFCD03976233
• PubChem SID: 164287602
• PubChem CID: 2998056

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 1.5076447
• LogD (pH = 7.4): 1.5389364
• Log P: 1.5393511
• Molar Refractivity: 69.8292 cm^3
• Polarizability: 22.817003 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Physical Property

• Melting Point: 216 - 218°C
• Hydrophobicity(logP): 1.889

Product Information

• Purity: 95%