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

• ChemBase ID: 107617
• Molecular Formular: C15H11N3
• Molecular Mass: 233.26794
• Monoisotopic Mass: 233.09529737
• SMILES: c1ccc(cc1)c1c(nncn1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1nncnc1c1ccccc1
• InChI: InChI=1S/C15H11N3/c1-3-7-12(8-4-1)14-15(18-17-11-16-14)13-9-5-2-6-10-13/h1-11H
• InChIKey: YPDRKSCNHYYJCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-diphenyl-1,2,4-triazine
• IUPAC Traditional name: 5,6-diphenyl-1,2,4-triazine
• Synonyms: 5,6-DIPHENYL-1,2,4-TRIAZINE

Database IDs

• CAS Number: 21134-91-8
• PubChem SID: 162093257
• PubChem CID: 252499

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1361163
• LogD (pH = 7.4): 3.136117
• Log P: 3.136117
• Molar Refractivity: 72.114 cm^3
• Polarizability: 29.749224 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204364

MP Biomedicals Rare Chemical collection