6-[(3R,4R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]piperidin-1-yl]-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Systemtic Name: 6-[(3R,4R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]piperidin-1-yl]-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one Openeye Name: 6-[(3R,4R)-3-amino-4-(2,4,5-trifluorophenyl)-1-piperidyl]-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one CAS Name: 6-[(3R,4R)-3-amino-4-(2,4,5-trifluorophenyl)-1-piperidinyl]-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one IUPAC Name: 6-[(3R,4R)-3-amino-4-(2,4,5-trifluorophenyl)piperidin-1-yl]-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one Traditional Name: 6-[(3R,4R)-3-amino-4-(2,4,5-trifluorophenyl)piperidino]-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one Formula: C17H17F3N6O MolecularWeight: 378.35169

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N2C(=N1)C=CC(=N2)N3CCC(C(C3)N)C4=CC(=C(C=C4F)F)F

Isomeric SMILES

CN1C(=O)N2C(=N1)C=CC(=N2)N3CC[C@@H]([C@H](C3)N)C4=CC(=C(C=C4F)F)F

InChI

InChI=1S/C17H17F3N6O/c1-24-17(27)26-16(22-24)3-2-15(23-26)25-5-4-9(14(21)8-25)10-6-12(19)13(20)7-11(10)18/h2-3,6-7,9,14H,4-5,8,21H2,1H3/t9-,14+/m1/s1