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

Systemtic Name: 1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 1-(1,2,4-triazol-1-yl)butan-2-one Formula: C6H9N3O MolecularWeight: 139.15516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C=NC=N1

Isomeric SMILES

CCC(=O)CN1C=NC=N1

InChI

InChI=1S/C6H9N3O/c1-2-6(10)3-9-5-7-4-8-9/h4-5H,2-3H2,1H3