3-hydrazinylquinoxalin-2-ol

• ChemBase ID: 57399
• Molecular Formular: C8H8N4O
• Molecular Mass: 176.17532
• Monoisotopic Mass: 176.0698109
• SMILES: c1ccc2c(c1)nc(c(n2)O)NN
• Canonical SMILES: NNc1nc2ccccc2nc1O
• InChI: InChI=1S/C8H8N4O/c9-12-7-8(13)11-6-4-2-1-3-5(6)10-7/h1-4H,9H2,(H,10,12)(H,11,13)
• InChIKey: OLKUCGPQWNWDBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinylquinoxalin-2-ol
• IUPAC Traditional name: 3-hydrazinylquinoxalin-2-ol
• Synonyms: 3-Hydrazinoquinoxalin-2-ol; 3-hydrazinylquinoxalin-2-ol

Database IDs

• CAS Number: 31595-63-8
• MDL Number: MFCD04971542
• PubChem SID: 162062162
• PubChem CID: 693318

CALCULATED PROPERTIES

• Acid pKa: 11.400795
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.4964813
• LogD (pH = 7.4): 1.5749311
• Log P: 1.5760707
• Molar Refractivity: 49.765 cm^3
• Polarizability: 19.219193 Å^3
• Polar Surface Area: 84.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false