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

C81H97F3N32O10S2 — CID 159912888

About N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine (PubChem CID 159912888) has the molecular formula C81H97F3N32O10S2 and a molecular weight of 1800.01 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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine
• PubChem CID: 159912888
• Molecular Formula: C81H97F3N32O10S2
• Molecular Weight: 1800.01 g/mol
• Exact Mass: 1798.75
• 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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine
• SMILES: CC(=O)Nc1cc(OC(F)(F)F)c(Nc2nc(N)n(-c3ccccn3)n2)cc1N1CCOCC1.CCc1csc(-n2nc(Nc3ccc(N4CCOCC4)cc3OC)nc2N)n1.COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2cc(N3CCN(C)CC3)ncn2)n1.COc1ccc2nc(-n3nc(Nc4ccc(N5CCOCC5)cc4OC)nc3N)sc2c1
• InChI: InChI=1S/C22H30N10O2.C21H23N7O3S.C20H21F3N8O3.C18H23N7O2S/c1-29-5-7-31(8-6-29)19-14-20(25-15-24-19)32-21(23)27-22(28-32)26-17-4-3-16(13-18(17)33-2)30-9-11-34-12-10-30;1-29-14-4-6-16-18(12-14)32-21(24-16)28-19(22)25-20(26-28)23-15-5-3-13(11-17(15)30-2)27-7-9-31-10-8-27;1-12(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;1-3-12-11-28-18(20-12)25-16(19)22-17(23-25)21-14-5-4-13(10-15(14)26-2)24-6-8-27-9-7-24/h3-4,13-15H,5-12H2,1-2H3,(H3,23,26,27,28);3-6,11-12H,7-10H2,1-2H3,(H3,22,23,25,26);2-5,10-11H,6-9H2,1H3,(H,26,32)(H3,24,27,28,29);4-5,10-11H,3,6-9H2,1-2H3,(H3,19,21,22,23)
• InChIKey: NXKCZNCMPMGIFK-UHFFFAOYSA-N
• XLogP: 9.18
• TPSA: 471.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 24
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.01
LogP ≤ 5	9.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine (CID 159912888) is N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2-morpholin-4-yl-5-(trifluoromethoxy)phenyl]acetamide;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine is CC(=O)Nc1cc(OC(F)(F)F)c(Nc2nc(N)n(-c3ccccn3)n2)cc1N1CCOCC1.CCc1csc(-n2nc(Nc3ccc(N4CCOCC4)cc3OC)nc2N)n1.COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2cc(N3CCN(C)CC3)ncn2)n1.COc1ccc2nc(-n3nc(Nc4ccc(N5CCOCC5)cc4OC)nc3N)sc2c1.

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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine?

The InChIKey is NXKCZNCMPMGIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N10O2.C21H23N7O3S.C20H21F3N8O3.C18H23N7O2S/c1-29-5-7-31(8-6-29)19-14-20(25-15-24-19)32-21(23)27-22(28-32)26-17-4-3-16(13-18(17)33-2)30-9-11-34-12-10-30;1-29-14-4-6-16-18(12-14)32-21(24-16)28-19(22)25-20(26-28)23-15-5-3-13(11-17(15)30-2)27-7-9-31-10-8-27;1-12(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;1-3-12-11-28-18(20-12)25-16(19)22-17(23-25)21-14-5-4-13(10-15(14)26-2)24-6-8-27-9-7-24/h3-4,13-15H,5-12H2,1-2H3,(H3,23,26,27,28);3-6,11-12H,7-10H2,1-2H3,(H3,22,23,25,26);2-5,10-11H,6-9H2,1H3,(H,26,32)(H3,24,27,28,29);4-5,10-11H,3,6-9H2,1-2H3,(H3,19,21,22,23).

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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine has a molecular weight of 1800.01 g/mol, XLogP of 9.18, 24 rotatable bonds, 9 hydrogen bond donors, and 43 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;1-(4-ethyl-1,3-thiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-methoxy-1,3-benzothiazol-2-yl)-3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 159912888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).