N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol

C154H180F3N31O10S — CID 158799211

About N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol

N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol (PubChem CID 158799211) has the molecular formula C154H180F3N31O10S and a molecular weight of 2714.40 g/mol. Its IUPAC name is N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol.

Molecular Properties

• Compound Name: N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol
• PubChem CID: 158799211
• Molecular Formula: C154H180F3N31O10S
• Molecular Weight: 2714.40 g/mol
• Exact Mass: 2712.42
• IUPAC Name: N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol
• SMILES: C.Cc1cccc(-c2nnc3ccc(NC4CCC(C(C)(C)O)CC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NC4CCC(C)(O)CC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NC4CCC(CO)CC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NC4CCC(CO)CC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NC4CCC(O)CC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NC4CCOCC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NCC4CCS(=O)(=O)CC4)cn23)c1.OCCOc1ccc2nnc(-c3cccc(C(F)(F)F)c3)n2c1
• InChI: InChI=1S/C22H28N4O.3C20H24N4O.C19H22N4O2S.C19H22N4O.C18H20N4O.C15H12F3N3O2.CH4/c1-15-5-4-6-16(13-15)21-25-24-20-12-11-19(14-26(20)21)23-18-9-7-17(8-10-18)22(2,3)27;1-14-4-3-5-15(12-14)19-23-22-18-7-6-17(13-24(18)19)21-16-8-10-20(2,25)11-9-16;2*1-14-3-2-4-16(11-14)20-23-22-19-10-9-18(12-24(19)20)21-17-7-5-15(13-25)6-8-17;1-14-3-2-4-16(11-14)19-22-21-18-6-5-17(13-23(18)19)20-12-15-7-9-26(24,25)10-8-15;1-13-3-2-4-14(11-13)19-22-21-18-10-7-16(12-23(18)19)20-15-5-8-17(24)9-6-15;1-13-3-2-4-14(11-13)18-21-20-17-6-5-16(12-22(17)18)19-15-7-9-23-10-8-15;16-15(17,18)11-3-1-2-10(8-11)14-20-19-13-5-4-12(9-21(13)14)23-7-6-22;/h4-6,11-14,17-18,23,27H,7-10H2,1-3H3;3-7,12-13,16,21,25H,8-11H2,1-2H3;2*2-4,9-12,15,17,21,25H,5-8,13H2,1H3;2-6,11,13,15,20H,7-10,12H2,1H3;2-4,7,10-12,15,17,20,24H,5-6,8-9H2,1H3;2-6,11-12,15,19H,7-10H2,1H3;1-5,8-9,22H,6-7H2;1H4
• InChIKey: ITGMFVANKXABNU-UHFFFAOYSA-N
• XLogP: 28.67
• TPSA: 499.71 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2714.40
LogP ≤ 5	28.67
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol?

The IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol (CID 158799211) is N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol.

What is the SMILES notation for N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol?

The canonical SMILES for N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol is C.Cc1cccc(-c2nnc3ccc(NC4CCC(C(C)(C)O)CC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NC4CCC(C)(O)CC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NC4CCC(CO)CC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NC4CCC(CO)CC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NC4CCC(O)CC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NC4CCOCC4)cn23)c1.Cc1cccc(-c2nnc3ccc(NCC4CCS(=O)(=O)CC4)cn23)c1.OCCOc1ccc2nnc(-c3cccc(C(F)(F)F)c3)n2c1.

What is the InChIKey of N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol?

The InChIKey is ITGMFVANKXABNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O.3C20H24N4O.C19H22N4O2S.C19H22N4O.C18H20N4O.C15H12F3N3O2.CH4/c1-15-5-4-6-16(13-15)21-25-24-20-12-11-19(14-26(20)21)23-18-9-7-17(8-10-18)22(2,3)27;1-14-4-3-5-15(12-14)19-23-22-18-7-6-17(13-24(18)19)21-16-8-10-20(2,25)11-9-16;2*1-14-3-2-4-16(11-14)20-23-22-19-10-9-18(12-24(19)20)21-17-7-5-15(13-25)6-8-17;1-14-3-2-4-16(11-14)19-22-21-18-6-5-17(13-23(18)19)20-12-15-7-9-26(24,25)10-8-15;1-13-3-2-4-14(11-13)19-22-21-18-10-7-16(12-23(18)19)20-15-5-8-17(24)9-6-15;1-13-3-2-4-14(11-13)18-21-20-17-6-5-16(12-22(17)18)19-15-7-9-23-10-8-15;16-15(17,18)11-3-1-2-10(8-11)14-20-19-13-5-4-12(9-21(13)14)23-7-6-22;/h4-6,11-14,17-18,23,27H,7-10H2,1-3H3;3-7,12-13,16,21,25H,8-11H2,1-2H3;2*2-4,9-12,15,17,21,25H,5-8,13H2,1H3;2-6,11,13,15,20H,7-10,12H2,1H3;2-4,7,10-12,15,17,20,24H,5-6,8-9H2,1H3;2-6,11-12,15,19H,7-10H2,1H3;1-5,8-9,22H,6-7H2;1H4.

What are the key properties of N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol?

N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol has a molecular weight of 2714.40 g/mol, XLogP of 28.67, 29 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;methane;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol);2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethanol is sourced from PubChem (CID 158799211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).