5-(dimethylamino)-2,3-dihydropyridazin-3-one

• ChemBase ID: 308332
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: c1c(cn[nH]c1=O)N(C)C
• Canonical SMILES: CN(c1cn[nH]c(=O)c1)C
• InChI: InChI=1S/C6H9N3O/c1-9(2)5-3-6(10)8-7-4-5/h3-4H,1-2H3,(H,8,10)
• InChIKey: OIRCIIVBXVVCCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dimethylamino)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 5-(dimethylamino)-2H-pyridazin-3-one
• Synonyms: 5-(dimethylamino)-3(2H)-pyridazinone

Database IDs

• CAS Number: 82226-43-5
• MDL Number: MFCD20502637

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6213599
• LogD (pH = 7.4): -0.6217527
• Log P: -0.62134963
• Molar Refractivity: 39.6551 cm^3
• Polarizability: 13.914051 Å^3
• Polar Surface Area: 44.7 Å^2