6-(morpholin-4-yl)-2,3-dihydropyridazin-3-one

• ChemBase ID: 309351
• Molecular Formular: C8H11N3O2
• Molecular Mass: 181.19184
• Monoisotopic Mass: 181.08512661
• SMILES: n1c(N2CCOCC2)ccc(=O)[nH]1
• Canonical SMILES: O=c1ccc(n[nH]1)N1CCOCC1
• InChI: InChI=1S/C8H11N3O2/c12-8-2-1-7(9-10-8)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,10,12)
• InChIKey: LPUWUXASFUPADF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 6-(morpholin-4-yl)-2H-pyridazin-3-one
• Synonyms: 6-(4-morpholinyl)-3(2H)-pyridazinone

Database IDs

• MDL Number: MFCD15194890

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8230561
• LogD (pH = 7.4): -0.8236423
• Log P: -0.8230474
• Molar Refractivity: 47.9744 cm^3
• Polarizability: 17.595938 Å^3
• Polar Surface Area: 53.93 Å^2