3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C8H13N3O MolecularWeight: 167.20832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=NC=N1

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC=N1

InChI

InChI=1S/C8H13N3O/c1-8(2,3)7(12)4-11-6-9-5-10-11/h5-6H,4H2,1-3H3