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

Systemtic Name: 4,4-dimethyl-1-oxidanyl-2-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 1-hydroxy-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 1-hydroxy-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 1-hydroxy-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 1-hydroxy-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Formula: C9H15N3O2 MolecularWeight: 197.2343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O2/c1-9(2,3)8(14)7(4-13)12-6-10-5-11-12/h5-7,13H,4H2,1-3H3