methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

C106H100F6N38O6S3 — CID 162097223

About methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (PubChem CID 162097223) has the molecular formula C106H100F6N38O6S3 and a molecular weight of 2212.41 g/mol. Its IUPAC name is methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;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: methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• PubChem CID: 162097223
• Molecular Formula: C106H100F6N38O6S3
• Molecular Weight: 2212.41 g/mol
• Exact Mass: 2210.78
• IUPAC Name: methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;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(OCc3nnc4ccc(-c5cc(C(F)(F)F)no5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnc(N(C)C)s5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnc(N6CCOCC6)s5)nn34)ccnc2c1.Cc1cc(-c2ccc3nnc(CNc4ccnc5cccnc45)n3n2)sn1.Fc1cc(-c2ccc3nnc(CNc4ccnc5cccnc45)n3n2)cc(F)c1F
• InChI: InChI=1S/C22H21N9O2S.C21H14F3N5O3.C20H12F3N7.C20H19N9OS.C18H14N8S.5CH4/c1-32-14-10-17-21(25-11-14)16(4-5-23-17)24-13-20-28-27-19-3-2-15(29-31(19)20)18-12-26-22(34-18)30-6-8-33-9-7-30;1-30-13-3-4-14-15(8-13)25-7-6-16(14)31-11-20-27-26-19-5-2-12(10-29(19)20)17-9-18(28-32-17)21(22,23)24;21-12-8-11(9-13(22)19(12)23)14-3-4-17-27-28-18(30(17)29-14)10-26-16-5-7-24-15-2-1-6-25-20(15)16;1-28(2)20-24-10-16(31-20)13-4-5-17-25-26-18(29(17)27-13)11-22-14-6-7-21-15-8-12(30-3)9-23-19(14)15;1-11-9-15(27-25-11)12-4-5-16-22-23-17(26(16)24-12)10-21-14-6-8-19-13-3-2-7-20-18(13)14;;;;;/h2-5,10-12H,6-9,13H2,1H3,(H,23,24);2-10H,11H2,1H3;1-9H,10H2,(H,24,26);4-10H,11H2,1-3H3,(H,21,22);2-9H,10H2,1H3,(H,19,21);5*1H4
• InChIKey: ZEKHSPVRPUOVHX-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 483.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 47
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2212.41
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;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 methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (CID 162097223) is methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;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 methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;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 methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;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(OCc3nnc4ccc(-c5cc(C(F)(F)F)no5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnc(N(C)C)s5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnc(N6CCOCC6)s5)nn34)ccnc2c1.Cc1cc(-c2ccc3nnc(CNc4ccnc5cccnc45)n3n2)sn1.Fc1cc(-c2ccc3nnc(CNc4ccnc5cccnc45)n3n2)cc(F)c1F.

What is the InChIKey of methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;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 ZEKHSPVRPUOVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2S.C21H14F3N5O3.C20H12F3N7.C20H19N9OS.C18H14N8S.5CH4/c1-32-14-10-17-21(25-11-14)16(4-5-23-17)24-13-20-28-27-19-3-2-15(29-31(19)20)18-12-26-22(34-18)30-6-8-33-9-7-30;1-30-13-3-4-14-15(8-13)25-7-6-16(14)31-11-20-27-26-19-5-2-12(10-29(19)20)17-9-18(28-32-17)21(22,23)24;21-12-8-11(9-13(22)19(12)23)14-3-4-17-27-28-18(30(17)29-14)10-26-16-5-7-24-15-2-1-6-25-20(15)16;1-28(2)20-24-10-16(31-20)13-4-5-17-25-26-18(29(17)27-13)11-22-14-6-7-21-15-8-12(30-3)9-23-19(14)15;1-11-9-15(27-25-11)12-4-5-16-22-23-17(26(16)24-12)10-21-14-6-8-19-13-3-2-7-20-18(13)14;;;;;/h2-5,10-12H,6-9,13H2,1H3,(H,23,24);2-10H,11H2,1H3;1-9H,10H2,(H,24,26);4-10H,11H2,1-3H3,(H,21,22);2-9H,10H2,1H3,(H,19,21);5*1H4.

What are the key properties of methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;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 2212.41 g/mol, XLogP of 20.12, 25 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for methane;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;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 162097223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).