tert-butyl 3-(hydroxymethyl)-1,2,4-triazole-1-carboxylate

Systemtic Name: tert-butyl 3-(hydroxymethyl)-1,2,4-triazole-1-carboxylate Openeye Name: tert-butyl 3-(hydroxymethyl)-1,2,4-triazole-1-carboxylate CAS Name: 3-(hydroxymethyl)-1,2,4-triazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(hydroxymethyl)-1,2,4-triazole-1-carboxylate Traditional Name: 3-methylol-1,2,4-triazole-1-carboxylic acid tert-butyl ester Formula: C8H13N3O3 MolecularWeight: 199.20712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=NC(=N1)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC(=N1)CO

InChI

InChI=1S/C8H13N3O3/c1-8(2,3)14-7(13)11-5-9-6(4-12)10-11/h5,12H,4H2,1-3H3