3-methyl-2-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]pentanedioic acid

Systemtic Name: 3-methyl-2-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]pentanedioic acid Openeye Name: 3-methyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridyl]pentanedioic acid CAS Name: 3-methyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pentanedioic acid IUPAC Name: 3-methyl-2-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]pentanedioic acid Traditional Name: 3-methyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridyl]glutaric acid Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(C1=CN=C(C=C1)N2C=NC=N2)C(=O)O

Isomeric SMILES

CC(CC(=O)O)C(C1=CN=C(C=C1)N2C=NC=N2)C(=O)O

InChI

InChI=1S/C13H14N4O4/c1-8(4-11(18)19)12(13(20)21)9-2-3-10(15-5-9)17-7-14-6-16-17/h2-3,5-8,12H,4H2,1H3,(H,18,19)(H,20,21)