5-methyl-3-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one

Systemtic Name: 5-methyl-3-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one Openeye Name: 3-isobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one CAS Name: 5-methyl-3-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one IUPAC Name: 5-methyl-3-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one Traditional Name: 3-isobutyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one Formula: C10H15N4O+ MolecularWeight: 207.2523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)[N+](=CN2)CC(C)C

Isomeric SMILES

CC1=CC(=O)N2C(=N1)[N+](=CN2)CC(C)C

InChI

InChI=1S/C10H14N4O/c1-7(2)5-13-6-11-14-9(15)4-8(3)12-10(13)14/h4,6-7H,5H2,1-3H3/p+1