2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanoic acid

Systemtic Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanoic acid Openeye Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid CAS Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid IUPAC Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid Traditional Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid Formula: C6H9N3O2 MolecularWeight: 155.15456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C)CC(=O)O

Isomeric SMILES

CC1=NN(C(=N1)C)CC(=O)O

InChI

InChI=1S/C6H9N3O2/c1-4-7-5(2)9(8-4)3-6(10)11/h3H2,1-2H3,(H,10,11)