N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

C68H73F9N30O7S2 — CID 159257116

About N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (PubChem CID 159257116) has the molecular formula C68H73F9N30O7S2 and a molecular weight of 1657.65 g/mol. Its IUPAC name is N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
• PubChem CID: 159257116
• Molecular Formula: C68H73F9N30O7S2
• Molecular Weight: 1657.65 g/mol
• Exact Mass: 1656.56
• IUPAC Name: N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
• SMILES: CC(=O)Nc1cc(OC(F)(F)F)c(Nc2nc(N)n(-c3ccccn3)n2)cc1N1CCOCC1.COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2nc(C(F)(F)F)cs2)n1.COc1cc(Nc2nc(N)nn2-c2nccs2)cc(C(F)(F)F)c1.COc1ccccc1Nc1nc(N)n(-c2cc(N3CCN(C)CC3)ncn2)n1
• InChI: InChI=1S/C20H21F3N8O3.C18H23N9O.C17H18F3N7O2S.C13H11F3N6OS/c1-12(32)26-13-11-16(34-20(21,22)23)14(10-15(13)30-6-8-33-9-7-30)27-19-28-18(24)31(29-19)17-4-2-3-5-25-17;1-25-7-9-26(10-8-25)15-11-16(21-12-20-15)27-17(19)23-18(24-27)22-13-5-3-4-6-14(13)28-2;1-28-12-8-10(26-4-6-29-7-5-26)2-3-11(12)22-15-24-14(21)27(25-15)16-23-13(9-30-16)17(18,19)20;1-23-9-5-7(13(14,15)16)4-8(6-9)19-11-20-10(17)21-22(11)12-18-2-3-24-12/h2-5,10-11H,6-9H2,1H3,(H,26,32)(H3,24,27,28,29);3-6,11-12H,7-10H2,1-2H3,(H3,19,22,23,24);2-3,8-9H,4-7H2,1H3,(H3,21,22,24,25);2-6H,1H3,(H3,17,19,20,21)
• InChIKey: KWAQPJLZLWXHDQ-UHFFFAOYSA-N
• XLogP: 9.82
• TPSA: 436.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1657.65
LogP ≤ 5	9.82
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

The IUPAC name of N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (CID 159257116) is N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

The canonical SMILES for N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is CC(=O)Nc1cc(OC(F)(F)F)c(Nc2nc(N)n(-c3ccccn3)n2)cc1N1CCOCC1.COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2nc(C(F)(F)F)cs2)n1.COc1cc(Nc2nc(N)nn2-c2nccs2)cc(C(F)(F)F)c1.COc1ccccc1Nc1nc(N)n(-c2cc(N3CCN(C)CC3)ncn2)n1.

What is the InChIKey of N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

The InChIKey is KWAQPJLZLWXHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N8O3.C18H23N9O.C17H18F3N7O2S.C13H11F3N6OS/c1-12(32)26-13-11-16(34-20(21,22)23)14(10-15(13)30-6-8-33-9-7-30)27-19-28-18(24)31(29-19)17-4-2-3-5-25-17;1-25-7-9-26(10-8-25)15-11-16(21-12-20-15)27-17(19)23-18(24-27)22-13-5-3-4-6-14(13)28-2;1-28-12-8-10(26-4-6-29-7-5-26)2-3-11(12)22-15-24-14(21)27(25-15)16-23-13(9-30-16)17(18,19)20;1-23-9-5-7(13(14,15)16)4-8(6-9)19-11-20-10(17)21-22(11)12-18-2-3-24-12/h2-5,10-11H,6-9H2,1H3,(H,26,32)(H3,24,27,28,29);3-6,11-12H,7-10H2,1-2H3,(H3,19,22,23,24);2-3,8-9H,4-7H2,1H3,(H3,21,22,24,25);2-6H,1H3,(H3,17,19,20,21).

What are the key properties of N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine has a molecular weight of 1657.65 g/mol, XLogP of 9.82, 20 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;5-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 159257116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).