N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

C110H104Cl2F3N33O8 — CID 158676044

About N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (PubChem CID 158676044) has the molecular formula C110H104Cl2F3N33O8 and a molecular weight of 2144.16 g/mol. Its IUPAC name is N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• PubChem CID: 158676044
• Molecular Formula: C110H104Cl2F3N33O8
• Molecular Weight: 2144.16 g/mol
• Exact Mass: 2141.81
• IUPAC Name: N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• SMILES: C.C.C.C.C.COc1ccc2c(NCc3nnc4c(C)cc(-c5ccccc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C#CC(C)(C)O)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(Cl)cc(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1.COc1cnc2c(OCc3nnc4ccc(-c5cnn(C)c5)nn34)ccnc2c1
• InChI: InChI=1S/C23H20N6O.C21H15Cl2N7O.C21H14F3N7O.C21H19N5O3.C19H16N8O2.5CH4/c1-15-12-20(16-6-4-3-5-7-16)28-29-22(26-27-23(15)29)14-25-19-10-11-24-21-13-17(30-2)8-9-18(19)21;1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12;1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11;1-21(2,27)10-8-14-4-7-19-23-24-20(26(19)25-14)13-29-18-9-11-22-17-12-15(28-3)5-6-16(17)18;1-26-10-12(8-22-26)14-3-4-17-23-24-18(27(17)25-14)11-29-16-5-6-20-15-7-13(28-2)9-21-19(15)16;;;;;/h3-13H,14H2,1-2H3,(H,24,25);2-10H,11H2,1H3,(H,24,25);2-9H,10H2,1H3,(H,25,26);4-7,9,11-12,27H,13H2,1-3H3;3-10H,11H2,1-2H3;5*1H4
• InChIKey: IENOVDIKKSGBHF-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 457.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 24
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.16
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The IUPAC name of N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (CID 158676044) is N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine.

What is the SMILES notation for N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The canonical SMILES for N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is C.C.C.C.C.COc1ccc2c(NCc3nnc4c(C)cc(-c5ccccc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C#CC(C)(C)O)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(Cl)cc(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1.COc1cnc2c(OCc3nnc4ccc(-c5cnn(C)c5)nn34)ccnc2c1.

What is the InChIKey of N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The InChIKey is IENOVDIKKSGBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O.C21H15Cl2N7O.C21H14F3N7O.C21H19N5O3.C19H16N8O2.5CH4/c1-15-12-20(16-6-4-3-5-7-16)28-29-22(26-27-23(15)29)14-25-19-10-11-24-21-13-17(30-2)8-9-18(19)21;1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12;1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11;1-21(2,27)10-8-14-4-7-19-23-24-20(26(19)25-14)13-29-18-9-11-22-17-12-15(28-3)5-6-16(17)18;1-26-10-12(8-22-26)14-3-4-17-23-24-18(27(17)25-14)11-29-16-5-6-20-15-7-13(28-2)9-21-19(15)16;;;;;/h3-13H,14H2,1-2H3,(H,24,25);2-10H,11H2,1H3,(H,24,25);2-9H,10H2,1H3,(H,25,26);4-7,9,11-12,27H,13H2,1-3H3;3-10H,11H2,1-2H3;5*1H4.

What are the key properties of N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine has a molecular weight of 2144.16 g/mol, XLogP of 20.32, 24 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;3-methoxy-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-1,5-naphthyridine;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 158676044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).