2-[5-azanyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-azanyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid Formula: C5H5F3N4O2 MolecularWeight: 210.11401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)N1C(=NC(=N1)C(F)(F)F)N

Isomeric SMILES

C(C(=O)O)N1C(=NC(=N1)C(F)(F)F)N

InChI

InChI=1S/C5H5F3N4O2/c6-5(7,8)3-10-4(9)12(11-3)1-2(13)14/h1H2,(H,13,14)(H2,9,10,11)