About 3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine
3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 157549360) has the molecular formula C114H81Br6F8N39O3
and a molecular weight of 2676.50 g/mol. Its IUPAC name is 3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine.
Frequently Asked Questions
What is the IUPAC name of 3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine (CID 157549360) is 3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine is CN(C)C1=NN2C(=NN=C2CC3=CC(=CC=C3)C4=NC=C(C=N4)Br)C=C1.CN(C)C1=NN2C(=NN=C2C(C3=CC=CC(=C3)C4=NC=C(C=N4)Br)(F)F)C=C1.COC1=NN2C(=NN=C2CC3=CC(=CC=C3)C4=NC=C(C=N4)Br)C=C1.COC1=NN2C(=NN=C2C(C3=CC=CC(=C3)C4=NC=C(C=N4)Br)(F)F)C=C1.C1=CC=C(C=C1)NC2=NN3C(=NN=C3C(C4=CC=CC(=C4)C5=NC=C(C=N5)Br)(F)F)C=C2.C1=CC=C(C=C1)OC2=NN3C(=NN=C3C(C4=CC=CC(=C4)C5=NC=C(C=N5)Br)(F)F)C=C2.
What is the InChIKey of 3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CDVZZHYMTUIZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrF2N7.C22H13BrF2N6O.C18H14BrF2N7.C18H16BrN7.C17H11BrF2N6O.C17H13BrN6O/c23-16-12-26-20(27-13-16)14-5-4-6-15(11-14)22(24,25)21-30-29-19-10-9-18(31-32(19)21)28-17-7-2-1-3-8-17;23-16-12-26-20(27-13-16)14-5-4-6-15(11-14)22(24,25)21-29-28-18-9-10-19(30-31(18)21)32-17-7-2-1-3-8-17;1-27(2)15-7-6-14-24-25-17(28(14)26-15)18(20,21)12-5-3-4-11(8-12)16-22-9-13(19)10-23-16;1-25(2)16-7-6-15-22-23-17(26(15)24-16)9-12-4-3-5-13(8-12)18-20-10-14(19)11-21-18;1-27-14-6-5-13-23-24-16(26(13)25-14)17(19,20)11-4-2-3-10(7-11)15-21-8-12(18)9-22-15;1-25-16-6-5-14-21-22-15(24(14)23-16)8-11-3-2-4-12(7-11)17-19-9-13(18)10-20-17/h1-13H,(H,28,31);1-13H;3-10H,1-2H3;3-8,10-11H,9H2,1-2H3;2-9H,1H3;2-7,9-10H,8H2,1H3.
What are the key properties of 3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine?
3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 2676.50 g/mol, XLogP of not available, 26 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 157549360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).