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

Systemtic Name: 4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 4-methyl-1-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one Formula: C8H13N3O MolecularWeight: 167.20832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCN1C=NC=N1

Isomeric SMILES

CC(C)C(=O)CCN1C=NC=N1

InChI

InChI=1S/C8H13N3O/c1-7(2)8(12)3-4-11-6-9-5-10-11/h5-7H,3-4H2,1-2H3