4-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-one CAS Name: 4-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-one Formula: C4H4F3N3O MolecularWeight: 167.08927

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=O)C(F)(F)F

Isomeric SMILES

CN1C(=NNC1=O)C(F)(F)F

InChI

InChI=1S/C4H4F3N3O/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)