2-[3-(2-oxidanylpropan-2-yl)-1H-1,2,4-triazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-(2-oxidanylpropan-2-yl)-1H-1,2,4-triazol-5-yl]ethanenitrile Openeye Name: 2-[3-(1-hydroxy-1-methyl-ethyl)-1H-1,2,4-triazol-5-yl]acetonitrile CAS Name: 2-[3-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile IUPAC Name: 2-[3-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile Traditional Name: 2-[3-(1-hydroxy-1-methyl-ethyl)-1H-1,2,4-triazol-5-yl]acetonitrile Formula: C7H10N4O MolecularWeight: 166.1805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NNC(=N1)CC#N)O

Isomeric SMILES

CC(C)(C1=NNC(=N1)CC#N)O

InChI

InChI=1S/C7H10N4O/c1-7(2,12)6-9-5(3-4-8)10-11-6/h12H,3H2,1-2H3,(H,9,10,11)