2-methyl-2-(1,2,4-triazol-1-yl)pentan-3-one

Systemtic Name: 2-methyl-2-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 2-methyl-2-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 2-methyl-2-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 2-methyl-2-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 2-methyl-2-(1,2,4-triazol-1-yl)pentan-3-one Formula: C8H13N3O MolecularWeight: 167.20832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C)N1C=NC=N1

Isomeric SMILES

CCC(=O)C(C)(C)N1C=NC=N1

InChI

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