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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1C=NN=C1

Isomeric SMILES

CC(=O)CC(=O)N1C=NN=C1

InChI

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