3-(1-methyl-5-nitro-imidazol-2-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Systemtic Name: 3-(1-methyl-5-nitro-imidazol-2-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine Openeye Name: N-isopropyl-3-(1-methyl-5-nitro-imidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine CAS Name: 3-(1-methyl-5-nitro-2-imidazolyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine IUPAC Name: 3-(1-methyl-5-nitroimidazol-2-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine Traditional Name: isopropyl-[3-(1-methyl-5-nitro-imidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amine Formula: C12H14N8O2 MolecularWeight: 302.29196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN2C(=NN=C2C3=NC=C(N3C)[N+](=O)[O-])C=C1

Isomeric SMILES

CC(C)NC1=NN2C(=NN=C2C3=NC=C(N3C)[N+](=O)[O-])C=C1

InChI

InChI=1S/C12H14N8O2/c1-7(2)14-8-4-5-9-15-16-12(19(9)17-8)11-13-6-10(18(11)3)20(21)22/h4-7H,1-3H3,(H,14,17)