3-tert-butyl-5-(trifluoromethyl)-1H-1,2,4-triazole

Systemtic Name: 3-tert-butyl-5-(trifluoromethyl)-1H-1,2,4-triazole Openeye Name: 3-tert-butyl-5-(trifluoromethyl)-1H-1,2,4-triazole CAS Name: 3-tert-butyl-5-(trifluoromethyl)-1H-1,2,4-triazole IUPAC Name: 3-tert-butyl-5-(trifluoromethyl)-1H-1,2,4-triazole Traditional Name: 3-tert-butyl-5-(trifluoromethyl)-1H-1,2,4-triazole Formula: C7H10F3N3 MolecularWeight: 193.16961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=N1)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NNC(=N1)C(F)(F)F

InChI

InChI=1S/C7H10F3N3/c1-6(2,3)4-11-5(13-12-4)7(8,9)10/h1-3H3,(H,11,12,13)