3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid

Systemtic Name: 3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid Openeye Name: 3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid CAS Name: 3-(1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid IUPAC Name: 3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid Traditional Name: 3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C(=O)O

InChI

InChI=1S/C13H17N3O2/c17-11(18)12-2-9-1-10(3-12)5-13(4-9,6-12)16-8-14-7-15-16/h7-10H,1-6H2,(H,17,18)