methyl 1H-1,2,4-triazole-5-carboxylate hydrochloride

Systemtic Name: methyl 1H-1,2,4-triazole-5-carboxylate hydrochloride Openeye Name: methyl 1H-1,2,4-triazole-5-carboxylate hydrochloride CAS Name: 1H-1,2,4-triazole-5-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate hydrochloride Traditional Name: 1H-1,2,4-triazole-5-carboxylic acid methyl ester hydrochloride Formula: C4H6ClN3O2 MolecularWeight: 167.533713

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=NN1.Cl

Isomeric SMILES

CO[13C](=O)[13C]1=[15N][13CH]=NN1.Cl

InChI

InChI=1S/C4H5N3O2.ClH/c1-9-4(8)3-5-2-6-7-3;/h2H,1H3,(H,5,6,7);1H/i2+1,3+1,4+1,5+1;