2,6-dimethyl-2,3,4,5-tetrahydropyridazin-3-one

• ChemBase ID: 78966
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: N1(N=C(C)CCC1=O)C
• Canonical SMILES: CC1=NN(C(=O)CC1)C
• InChI: InChI=1S/C6H10N2O/c1-5-3-4-6(9)8(2)7-5/h3-4H2,1-2H3
• InChIKey: UVUMWFKDIBAAGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-2,3,4,5-tetrahydropyridazin-3-one
• IUPAC Traditional name: 2,6-dimethyl-4,5-dihydropyridazin-3-one
• Synonyms: 2,6-dimethyl-2,3,4,5-tetrahydropyridazin-3-one

Database IDs

• MDL Number: MFCD00828685
• PubChem SID: 162043729
• PubChem CID: 2774501

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.19873905
• LogD (pH = 7.4): -0.19862497
• Log P: -0.19862352
• Molar Refractivity: 34.2641 cm^3
• Polarizability: 13.006877 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true