3-hydrazinyl-5,6-diphenyl-1,2,4-triazine

• ChemBase ID: 120360
• Molecular Formular: C15H13N5
• Molecular Mass: 263.29722
• Monoisotopic Mass: 263.11709544
• SMILES: c1(nnc(nc1c1ccccc1)NN)c1ccccc1
• Canonical SMILES: NNc1nnc(c(n1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H13N5/c16-18-15-17-13(11-7-3-1-4-8-11)14(19-20-15)12-9-5-2-6-10-12/h1-10H,16H2,(H,17,18,20)
• InChIKey: CBWZPMAODJSGAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-5,6-diphenyl-1,2,4-triazine
• IUPAC Traditional name: 3-hydrazinyl-5,6-diphenyl-1,2,4-triazine
• Synonyms: 3-hydrazinyl-5,6-diphenyl-1,2,4-triazine

Database IDs

• PubChem SID: 162214713
• PubChem CID: 601464

CALCULATED PROPERTIES

• Acid pKa: 14.195911
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.0818908
• LogD (pH = 7.4): 3.1606402
• Log P: 3.2065456
• Molar Refractivity: 81.7667 cm^3
• Polarizability: 32.2353 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true