3-hydrazinyl-1-methyl-1,2-dihydroquinoxalin-2-one

• ChemBase ID: 309340
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: c1(c(=O)n(c2c(n1)cccc2)C)NN
• Canonical SMILES: NNc1nc2ccccc2n(c1=O)C
• InChI: InChI=1S/C9H10N4O/c1-13-7-5-3-2-4-6(7)11-8(12-10)9(13)14/h2-5H,10H2,1H3,(H,11,12)
• InChIKey: HDFPXYFPJKUDDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-1-methyl-1,2-dihydroquinoxalin-2-one
• IUPAC Traditional name: 3-hydrazinyl-1-methylquinoxalin-2-one
• Synonyms: 3-hydrazino-1-methyl-2(1H)-quinoxalinone

Database IDs

• CAS Number: 31595-64-9
• MDL Number: MFCD14702900

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.042655215
• LogD (pH = 7.4): 0.013380868
• Log P: 0.014144176
• Molar Refractivity: 65.4406 cm^3
• Polarizability: 19.599184 Å^3
• Polar Surface Area: 70.72 Å^2