3-methyl-1-(5-methyl-2H-1,2,3-triazol-4-yl)butan-1-one

Systemtic Name: 3-methyl-1-(5-methyl-2H-1,2,3-triazol-4-yl)butan-1-one Openeye Name: 3-methyl-1-(5-methyl-2H-triazol-4-yl)butan-1-one CAS Name: 3-methyl-1-(5-methyl-2H-triazol-4-yl)-1-butanone IUPAC Name: 3-methyl-1-(5-methyl-2H-triazol-4-yl)butan-1-one Traditional Name: 3-methyl-1-(5-methyl-2H-triazol-4-yl)butan-1-one Formula: C8H13N3O MolecularWeight: 167.20832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNN=C1C(=O)CC(C)C

Isomeric SMILES

CC1=NNN=C1C(=O)CC(C)C

InChI

InChI=1S/C8H13N3O/c1-5(2)4-7(12)8-6(3)9-11-10-8/h5H,4H2,1-3H3,(H,9,10,11)