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

Systemtic Name: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)pentan-2-one Openeye Name: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)pentan-2-one CAS Name: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-pentanone IUPAC Name: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)pentan-2-one Traditional Name: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)pentan-2-one Formula: C9H15N3O MolecularWeight: 181.2349

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)CN1C=NC=N1

Isomeric SMILES

CCC(C)(C)C(=O)CN1C=NC=N1

InChI

InChI=1S/C9H15N3O/c1-4-9(2,3)8(13)5-12-7-10-6-11-12/h6-7H,4-5H2,1-3H3