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

• ChemBase ID: 308356
• Molecular Formular: C8H11N3O2
• Molecular Mass: 181.19184
• Monoisotopic Mass: 181.08512661
• SMILES: c1c(N2CCOCC2)cn[nH]c1=O
• Canonical SMILES: O=c1[nH]ncc(c1)N1CCOCC1
• InChI: InChI=1S/C8H11N3O2/c12-8-5-7(6-9-10-8)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,10,12)
• InChIKey: ZWPTWKSYFNUPFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 5-(morpholin-4-yl)-2H-pyridazin-3-one
• Synonyms: 5-(4-morpholinyl)-3(2H)-pyridazinone

Database IDs

• CAS Number: 21131-06-6
• MDL Number: MFCD20502642

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8398578
• LogD (pH = 7.4): -0.8402534
• Log P: -0.8398501
• Molar Refractivity: 48.7296 cm^3
• Polarizability: 17.595938 Å^3
• Polar Surface Area: 53.93 Å^2