4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C102H123Cl2N39O12 — CID 159527965

About 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 159527965) has the molecular formula C102H123Cl2N39O12 and a molecular weight of 2158.27 g/mol. Its IUPAC name is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 159527965
• Molecular Formula: C102H123Cl2N39O12
• Molecular Weight: 2158.27 g/mol
• Exact Mass: 2155.96
• IUPAC Name: 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: COc1cc(Nc2nc(N)n(-c3ccccn3)n2)cc(OCCCN2CCOCC2)c1OC.COc1cc(OC)c(Nc2nc(N)n(-c3cc(NC4CCCCC4)ncn3)n2)cc1Cl.COc1cc(OC)c(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)cc1Cl.COc1ccc(Nc2nc(N)n(-c3cc(NC4CCCCC4)ncn3)n2)c(OC)c1.Nc1nc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nn1-c1ccccn1
• InChI: InChI=1S/C22H29N7O4.C20H25ClN8O2.C20H19ClN8O2.C20H26N8O2.C20H24N8O2/c1-30-17-14-16(25-22-26-21(23)29(27-22)19-6-3-4-7-24-19)15-18(20(17)31-2)33-11-5-8-28-9-12-32-13-10-28;2*1-30-15-9-16(31-2)14(8-13(15)21)26-20-27-19(22)29(28-20)18-10-17(23-11-24-18)25-12-6-4-3-5-7-12;1-29-14-8-9-15(16(10-14)30-2)25-20-26-19(21)28(27-20)18-11-17(22-12-23-18)24-13-6-4-3-5-7-13;21-19-25-20(26-28(19)17-3-1-2-8-22-17)24-16-6-4-15(5-7-16)18(29)23-9-10-27-11-13-30-14-12-27/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H3,23,25,26,27);8-12H,3-7H2,1-2H3,(H,23,24,25)(H3,22,26,27,28);3-11H,1-2H3,(H,23,24,25)(H3,22,26,27,28);8-13H,3-7H2,1-2H3,(H,22,23,24)(H3,21,25,26,27);1-8H,9-14H2,(H,23,29)(H3,21,24,25,26)
• InChIKey: MCPUCBIVGODCCG-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 620.12 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 50
• Rotatable Bonds: 38
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2158.27
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The IUPAC name of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 159527965) is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is COc1cc(Nc2nc(N)n(-c3ccccn3)n2)cc(OCCCN2CCOCC2)c1OC.COc1cc(OC)c(Nc2nc(N)n(-c3cc(NC4CCCCC4)ncn3)n2)cc1Cl.COc1cc(OC)c(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)cc1Cl.COc1ccc(Nc2nc(N)n(-c3cc(NC4CCCCC4)ncn3)n2)c(OC)c1.Nc1nc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nn1-c1ccccn1.

What is the InChIKey of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is MCPUCBIVGODCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O4.C20H25ClN8O2.C20H19ClN8O2.C20H26N8O2.C20H24N8O2/c1-30-17-14-16(25-22-26-21(23)29(27-22)19-6-3-4-7-24-19)15-18(20(17)31-2)33-11-5-8-28-9-12-32-13-10-28;2*1-30-15-9-16(31-2)14(8-13(15)21)26-20-27-19(22)29(28-20)18-10-17(23-11-24-18)25-12-6-4-3-5-7-12;1-29-14-8-9-15(16(10-14)30-2)25-20-26-19(21)28(27-20)18-11-17(22-12-23-18)24-13-6-4-3-5-7-13;21-19-25-20(26-28(19)17-3-1-2-8-22-17)24-16-6-4-15(5-7-16)18(29)23-9-10-27-11-13-30-14-12-27/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H3,23,25,26,27);8-12H,3-7H2,1-2H3,(H,23,24,25)(H3,22,26,27,28);3-11H,1-2H3,(H,23,24,25)(H3,22,26,27,28);8-13H,3-7H2,1-2H3,(H,22,23,24)(H3,21,25,26,27);1-8H,9-14H2,(H,23,29)(H3,21,24,25,26).

What are the key properties of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 2158.27 g/mol, XLogP of 13.90, 38 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;1-(6-anilinopyrimidin-4-yl)-3-N-(5-chloro-2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine;1-[6-(cyclohexylamino)pyrimidin-4-yl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazole-3,5-diamine;3-N-[3,4-dimethoxy-5-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 159527965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).