3-(2-methylphenyl)-7-(trifluoromethyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

Systemtic Name: 3-(2-methylphenyl)-7-(trifluoromethyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one Openeye Name: 3-(o-tolyl)-7-(trifluoromethyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one CAS Name: 3-(2-methylphenyl)-7-(trifluoromethyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one IUPAC Name: 3-(2-methylphenyl)-7-(trifluoromethyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one Traditional Name: 3-(o-tolyl)-7-(trifluoromethyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one Formula: C13H9F3N4O MolecularWeight: 294.23197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NNC3=NC(=CC(=O)N23)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C2=NNC3=NC(=CC(=O)N23)C(F)(F)F

InChI

InChI=1S/C13H9F3N4O/c1-7-4-2-3-5-8(7)11-18-19-12-17-9(13(14,15)16)6-10(21)20(11)12/h2-6H,1H3,(H,17,19)