About N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine
N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine (PubChem CID 158155790) has the molecular formula C150H128N61O3S8+
and a molecular weight of 3089.63 g/mol. Its IUPAC name is N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine.
Frequently Asked Questions
What is the IUPAC name of N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine?
The IUPAC name of N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine (CID 158155790) is N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine is CCn1cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)nn34)cc21.CN(C)c1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)nn34)cc12.CNc1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)nn34)cc12.COCCn1cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)nn34)cc21.COc1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)nn34)cc12.Cc1cc2cc(Sc3nnc4ccc(-c5cnn(C)c5)nn34)ccc2nc1C.Cn1cc(-c2ccc3nnc(Sc4ccc5c(ccc[n+]5O)c4)n3n2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncn(C)c5c4)n3n2)cn1.
What is the InChIKey of N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine?
The InChIKey is ULEOPGFVRAHKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8S.C20H17N7S.C19H18N8OS.C19H16N8S.C19H15N7OS.C18H16N8S.C18H14N7OS.C17H14N8S/c1-26(2)18-8-9-21-17-5-4-14(10-15(17)18)29-20-24-23-19-7-6-16(25-28(19)20)13-11-22-27(3)12-13;1-12-8-14-9-16(4-5-17(14)22-13(12)2)28-20-24-23-19-7-6-18(25-27(19)20)15-10-21-26(3)11-15;1-25-11-13(10-21-25)15-5-6-18-22-23-19(27(18)24-15)29-14-3-4-16-17(9-14)26(12-20-16)7-8-28-2;1-20-16-7-8-21-17-4-3-13(9-14(16)17)28-19-24-23-18-6-5-15(25-27(18)19)12-10-22-26(2)11-12;1-25-11-12(10-21-25)15-5-6-18-22-23-19(26(18)24-15)28-13-3-4-16-14(9-13)17(27-2)7-8-20-16;1-3-25-11-19-15-5-4-13(8-16(15)25)27-18-22-21-17-7-6-14(23-26(17)18)12-9-20-24(2)10-12;1-23-11-13(10-19-23)15-5-7-17-20-21-18(25(17)22-15)27-14-4-6-16-12(9-14)3-2-8-24(16)26;1-23-10-18-14-4-3-12(7-15(14)23)26-17-21-20-16-6-5-13(22-25(16)17)11-8-19-24(2)9-11/h4-12H,1-3H3;4-11H,1-3H3;3-6,9-12H,7-8H2,1-2H3;3-11H,1-2H3,(H,20,21);3-11H,1-2H3;4-11H,3H2,1-2H3;2-11,26H,1H3;3-10H,1-2H3/q;;;;;;+1;.
What are the key properties of N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine?
N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine has a molecular weight of 3089.63 g/mol, XLogP of 24.26, 31 rotatable bonds, 2 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine;2,3-dimethyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-ethylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;1-hydroxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-1-ium;3-[3-(2-methoxyethyl)benzimidazol-5-yl]sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;3-(3-methylbenzimidazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-amine is sourced from PubChem (CID 158155790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).