3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one

Systemtic Name: 3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one Openeye Name: 3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one CAS Name: 3-methyl-1-(1H-1,2,4-triazol-5-yl)-1-butanone IUPAC Name: 3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one Traditional Name: 3-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-one Formula: C7H11N3O MolecularWeight: 153.18174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=NC=NN1

Isomeric SMILES

CC(C)CC(=O)C1=NC=NN1

InChI

InChI=1S/C7H11N3O/c1-5(2)3-6(11)7-8-4-9-10-7/h4-5H,3H2,1-2H3,(H,8,9,10)