1-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[oxo-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-(1,2,4-triazol-1-yl)nicotinoyl]proline Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CN=C(C=C2)N3C=NC=N3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CN=C(C=C2)N3C=NC=N3)C(=O)O

InChI

InChI=1S/C13H13N5O3/c19-12(17-5-1-2-10(17)13(20)21)9-3-4-11(15-6-9)18-8-14-7-16-18/h3-4,6-8,10H,1-2,5H2,(H,20,21)