2-[(1-ethyl-1H-imidazol-2-yl)methyl]-5-(morpholin-4-yl)-2,3-dihydropyridazin-3-one

• ChemBase ID: 695051
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: n1(c(=O)cc(cn1)N1CCOCC1)Cc1n(ccn1)CC
• Canonical SMILES: CCn1ccnc1Cn1ncc(cc1=O)N1CCOCC1
• InChI: InChI=1S/C14H19N5O2/c1-2-17-4-3-15-13(17)11-19-14(20)9-12(10-16-19)18-5-7-21-8-6-18/h3-4,9-10H,2,5-8,11H2,1H3
• InChIKey: FAXWLGAZVUIDCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-ethyl-1H-imidazol-2-yl)methyl]-5-(morpholin-4-yl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 2-[(1-ethylimidazol-2-yl)methyl]-5-(morpholin-4-yl)pyridazin-3-one
• Synonyms: 2-[(1-ethyl-1H-imidazol-2-yl)methyl]-5-(4-morpholinyl)-3(2H)-pyridazinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.3026133
• LogD (pH = 7.4): -0.48440292
• Log P: -0.35652047
• Molar Refractivity: 80.166 cm^3
• Polarizability: 29.427069 Å^3
• Polar Surface Area: 62.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.23
• LOG S: -2.42
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 4