1-azido-2-(1,2,4-triazol-1-ylmethyl)hexan-1-one

Systemtic Name: 1-azido-2-(1,2,4-triazol-1-ylmethyl)hexan-1-one Openeye Name: 2-(1,2,4-triazol-1-ylmethyl)hexanoyl azide CAS Name: 1-azido-2-(1,2,4-triazol-1-ylmethyl)-1-hexanone IUPAC Name: 2-(1,2,4-triazol-1-ylmethyl)hexanoyl azide Traditional Name: 1-azido-2-(1,2,4-triazol-1-ylmethyl)hexan-1-one Formula: C9H14N6O MolecularWeight: 222.24706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)C(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCC(CN1C=NC=N1)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C9H14N6O/c1-2-3-4-8(9(16)13-14-10)5-15-7-11-6-12-15/h6-8H,2-5H2,1H3