methyl 3-[4-(1-oxidanylcyclohexyl)-1,2,3-triazol-1-yl]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[4-(1-oxidanylcyclohexyl)-1,2,3-triazol-1-yl]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[4-(1-hydroxycyclohexyl)triazol-1-yl]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[4-(1-hydroxycyclohexyl)-1-triazolyl]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(1-hydroxycyclohexyl)triazol-1-yl]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[4-(1-hydroxycyclohexyl)triazol-1-yl]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C12H16N6O3 MolecularWeight: 292.29384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)N2C=C(N=N2)C3(CCCCC3)O

Isomeric SMILES

COC(=O)C1=NC(=NN1)N2C=C(N=N2)C3(CCCCC3)O

InChI

InChI=1S/C12H16N6O3/c1-21-10(19)9-13-11(16-15-9)18-7-8(14-17-18)12(20)5-3-2-4-6-12/h7,20H,2-6H2,1H3,(H,13,15,16)