5-(4-ethylpiperazin-4-ium-1-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine Formula: C12H19N6+ MolecularWeight: 247.31946

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=NC3=NN=CN23)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=NC3=NN=CN23)C

InChI

InChI=1S/C12H18N6/c1-3-16-4-6-17(7-5-16)11-8-10(2)14-12-15-13-9-18(11)12/h8-9H,3-7H2,1-2H3/p+1