1-(1H-1,2,4-triazol-5-yl)hexan-2-one

Systemtic Name: 1-(1H-1,2,4-triazol-5-yl)hexan-2-one Openeye Name: 1-(1H-1,2,4-triazol-5-yl)hexan-2-one CAS Name: 1-(1H-1,2,4-triazol-5-yl)-2-hexanone IUPAC Name: 1-(1H-1,2,4-triazol-5-yl)hexan-2-one Traditional Name: 1-(1H-1,2,4-triazol-5-yl)hexan-2-one Formula: C8H13N3O MolecularWeight: 167.20832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC1=NC=NN1

Isomeric SMILES

CCCCC(=O)CC1=NC=NN1

InChI

InChI=1S/C8H13N3O/c1-2-3-4-7(12)5-8-9-6-10-11-8/h6H,2-5H2,1H3,(H,9,10,11)