1-(1,2,4-triazol-1-yl)butane-1,3-dione

Systemtic Name: 1-(1,2,4-triazol-1-yl)butane-1,3-dione Openeye Name: 1-(1,2,4-triazol-1-yl)butane-1,3-dione CAS Name: 1-(1,2,4-triazol-1-yl)butane-1,3-dione IUPAC Name: 1-(1,2,4-triazol-1-yl)butane-1,3-dione Traditional Name: 1-(1,2,4-triazol-1-yl)butane-1,3-dione Formula: C6H7N3O2 MolecularWeight: 153.13868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1C=NC=N1

Isomeric SMILES

CC(=O)CC(=O)N1C=NC=N1

InChI

InChI=1S/C6H7N3O2/c1-5(10)2-6(11)9-4-7-3-8-9/h3-4H,2H2,1H3