s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- structure

s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-

5-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole

Also Known As: s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-|3-(o-Tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-s-triazole|1H-1,2,4-Triazole, 3-(2-methylphenyl)-5-(3-(trifluoromethyl)phenyl)-|5-(2-Methylphenyl)-3-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole|5-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole|3-(3-trifluoromethylphenyl)-5-(2-methylphenyl)-1,2,4-triazol|3-(o-Tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-1,2,4-triazole|3-(2-methylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole|1H-1,2,4-TRIAZOLE, 5-(2-METHYLPHENYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)-

CAS: 69095-77-8
Molecular Formula C16H12F3N3
Molecular Weight 303.09833 g/mol
LogP 4.6
Topological Polar Surface Area 41.6 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 303.09833
Monoisotopic Mass 303.09833
Heavy Atoms 22
Complexity 374.0

Chemical Identifiers

CAS Number 69095-77-8
SMILES CC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)C(F)(F)F
InChIKey DYGMEXLJCFIJME-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (2 patents) Heterocyclic Building Blocks (4 patents) Pharmaceutical Intermediates (2 patents)

Product Overview

s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- (CAS 69095-77-8), with molecular formula C16H12F3N3 and molecular weight 303.09833 g/mol. IUPAC: 5-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole.

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