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

• ChemBase ID: 745624
• Molecular Formular: C12H15N5O3
• Molecular Mass: 277.2792
• Monoisotopic Mass: 277.11748937
• SMILES: n1(c(=O)cc(cn1)N1CCOCC1)Cc1nonc1C
• Canonical SMILES: Cc1nonc1Cn1ncc(cc1=O)N1CCOCC1
• InChI: InChI=1S/C12H15N5O3/c1-9-11(15-20-14-9)8-17-12(18)6-10(7-13-17)16-2-4-19-5-3-16/h6-7H,2-5,8H2,1H3
• InChIKey: WDKDJYAZJIVOFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-(morpholin-4-yl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-(morpholin-4-yl)pyridazin-3-one
• Synonyms: 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-morpholin-4-ylpyridazin-3(2H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.0900137
• LogD (pH = 7.4): -1.0900136
• Log P: -1.0900136
• Molar Refractivity: 72.6788 cm^3
• Polarizability: 25.993816 Å^3
• Polar Surface Area: 84.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.45
• LOG S: -2.15
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 3