3-hydrazinyl-5-phenyl-1,2,4-triazine

• ChemBase ID: 307418
• Molecular Formular: C9H9N5
• Molecular Mass: 187.20126
• Monoisotopic Mass: 187.08579531
• SMILES: c1(nc(cnn1)c1ccccc1)NN
• Canonical SMILES: NNc1nncc(n1)c1ccccc1
• InChI: InChI=1S/C9H9N5/c10-13-9-12-8(6-11-14-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,12,13,14)
• InChIKey: XNMHGSWBLYFSHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-5-phenyl-1,2,4-triazine
• IUPAC Traditional name: 3-hydrazinyl-5-phenyl-1,2,4-triazine
• Synonyms: 3-hydrazino-5-phenyl-1,2,4-triazine

Database IDs

• CAS Number: 28735-29-7
• MDL Number: MFCD00460420

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.1669489
• LogD (pH = 7.4): 1.1733869
• Log P: 1.1734698
• Molar Refractivity: 57.0025 cm^3
• Polarizability: 21.181202 Å^3
• Polar Surface Area: 76.72 Å^2