4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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

C83H105ClN32O7 — CID 158543525

About 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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

4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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 (PubChem CID 158543525) has the molecular formula C83H105ClN32O7 and a molecular weight of 1698.42 g/mol. Its IUPAC name is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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.

Molecular Properties

• Compound Name: 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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
• PubChem CID: 158543525
• Molecular Formula: C83H105ClN32O7
• Molecular Weight: 1698.42 g/mol
• Exact Mass: 1696.85
• IUPAC Name: 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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
• SMILES: CC1CC(C)CN(CCNC(=O)c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)C1.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/C23H30N8O.C20H25ClN8O2.C20H26N8O2.C20H24N8O2/c1-16-13-17(2)15-30(14-16)12-11-26-21(32)18-6-8-19(9-7-18)27-23-28-22(24)31(29-23)20-5-3-4-10-25-20;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/h3-10,16-17H,11-15H2,1-2H3,(H,26,32)(H3,24,27,28,29);8-12H,3-7H2,1-2H3,(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: HOVBHHPGTXNLPA-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 487.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1698.42
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

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-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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?

The IUPAC name of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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 (CID 158543525) is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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.

What is the SMILES notation for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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?

The canonical SMILES for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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 is CC1CC(C)CN(CCNC(=O)c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)C1.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-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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?

The InChIKey is HOVBHHPGTXNLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O.C20H25ClN8O2.C20H26N8O2.C20H24N8O2/c1-16-13-17(2)15-30(14-16)12-11-26-21(32)18-6-8-19(9-7-18)27-23-28-22(24)31(29-23)20-5-3-4-10-25-20;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/h3-10,16-17H,11-15H2,1-2H3,(H,26,32)(H3,24,27,28,29);8-12H,3-7H2,1-2H3,(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-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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?

4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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 has a molecular weight of 1698.42 g/mol, XLogP of 10.69, 28 rotatable bonds, 12 hydrogen bond donors, and 37 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-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide;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 is sourced from PubChem (CID 158543525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).