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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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