5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2,3-diamine

Systemtic Name: 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2,3-diamine Openeye Name: 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2,3-diamine CAS Name: 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2,3-diamine IUPAC Name: 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2,3-diamine Traditional Name: (2-amino-5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)amine Formula: C12H13N6+ MolecularWeight: 241.27182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)N=C(N2N)N

Isomeric SMILES

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)N=C(N2N)N

InChI

InChI=1S/C12H13N6/c1-8-7-10(9-5-3-2-4-6-9)18-12(15-8)17(14)11(13)16-18/h2-7H,14H2,1H3,(H2,13,16)/q+1