2-(cyclopropylmethyl)-5-[methyl(2-phenylethyl)amino]-2,3-dihydropyridazin-3-one

• ChemBase ID: 860367
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: c1c(=O)n(ncc1N(CCc1ccccc1)C)CC1CC1
• Canonical SMILES: CN(c1cnn(c(=O)c1)CC1CC1)CCc1ccccc1
• InChI: InChI=1S/C17H21N3O/c1-19(10-9-14-5-3-2-4-6-14)16-11-17(21)20(18-12-16)13-15-7-8-15/h2-6,11-12,15H,7-10,13H2,1H3
• InChIKey: SWXZDFDTUKHHES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethyl)-5-[methyl(2-phenylethyl)amino]-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 2-(cyclopropylmethyl)-5-[methyl(2-phenylethyl)amino]pyridazin-3-one
• Synonyms: 2-(cyclopropylmethyl)-5-[methyl(2-phenylethyl)amino]-3(2H)-pyridazinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3960357
• LogD (pH = 7.4): 2.396038
• Log P: 2.396038
• Molar Refractivity: 85.8614 cm^3
• Polarizability: 31.881172 Å^3
• Polar Surface Area: 35.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.04
• LOG S: -3.87
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6