1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C11H13N5O MolecularWeight: 231.25382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)N

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)N

InChI

InChI=1S/C11H13N5O/c1-2-4-9(17)16-11(12)14-10(15-16)8-5-3-6-13-7-8/h3,5-7H,2,4H2,1H3,(H2,12,14,15)