3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C87H98ClN35O10 — CID 160895385

About 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 160895385) has the molecular formula C87H98ClN35O10 and a molecular weight of 1829.43 g/mol. Its IUPAC name is 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 160895385
• Molecular Formula: C87H98ClN35O10
• Molecular Weight: 1829.43 g/mol
• Exact Mass: 1827.79
• IUPAC Name: 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: CCOc1ccc(OCC)c(Nc2nc(N)n(-c3ccccn3)n2)c1.COc1ccc(C(=O)N2CCOCC2)cc1Nc1nc(N)n(-c2ccccn2)n1.COc1ccc(C(=O)NCCN(C)C)cc1Nc1nc(N)n(-c2ccccn2)n1.COc1ccc(C(N)=O)cc1Nc1nc(N)n(-c2ccccn2)n1.Nc1nc(Nc2ccc(N3CCOCC3)cc2Cl)nn1-c1ccccn1
• InChI: InChI=1S/C19H24N8O2.C19H21N7O3.C17H18ClN7O.C17H20N6O2.C15H15N7O2/c1-26(2)11-10-22-17(28)13-7-8-15(29-3)14(12-13)23-19-24-18(20)27(25-19)16-6-4-5-9-21-16;1-28-15-6-5-13(17(27)25-8-10-29-11-9-25)12-14(15)22-19-23-18(20)26(24-19)16-4-2-3-7-21-16;18-13-11-12(24-7-9-26-10-8-24)4-5-14(13)21-17-22-16(19)25(23-17)15-3-1-2-6-20-15;1-3-24-12-8-9-14(25-4-2)13(11-12)20-17-21-16(18)23(22-17)15-7-5-6-10-19-15;1-24-11-6-5-9(13(16)23)8-10(11)19-15-20-14(17)22(21-15)12-4-2-3-7-18-12/h4-9,12H,10-11H2,1-3H3,(H,22,28)(H3,20,23,24,25);2-7,12H,8-11H2,1H3,(H3,20,22,23,24);1-6,11H,7-10H2,(H3,19,21,22,23);5-11H,3-4H2,1-2H3,(H3,18,20,21,22);2-8H,1H3,(H2,16,23)(H3,17,19,20,21)
• InChIKey: SOUPDRHAHYGICB-UHFFFAOYSA-N
• XLogP: 9.12
• TPSA: 571.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1829.43
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The IUPAC name of 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 160895385) is 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is CCOc1ccc(OCC)c(Nc2nc(N)n(-c3ccccn3)n2)c1.COc1ccc(C(=O)N2CCOCC2)cc1Nc1nc(N)n(-c2ccccn2)n1.COc1ccc(C(=O)NCCN(C)C)cc1Nc1nc(N)n(-c2ccccn2)n1.COc1ccc(C(N)=O)cc1Nc1nc(N)n(-c2ccccn2)n1.Nc1nc(Nc2ccc(N3CCOCC3)cc2Cl)nn1-c1ccccn1.

What is the InChIKey of 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is SOUPDRHAHYGICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2.C19H21N7O3.C17H18ClN7O.C17H20N6O2.C15H15N7O2/c1-26(2)11-10-22-17(28)13-7-8-15(29-3)14(12-13)23-19-24-18(20)27(25-19)16-6-4-5-9-21-16;1-28-15-6-5-13(17(27)25-8-10-29-11-9-25)12-14(15)22-19-23-18(20)26(24-19)16-4-2-3-7-21-16;18-13-11-12(24-7-9-26-10-8-24)4-5-14(13)21-17-22-16(19)25(23-17)15-3-1-2-6-20-15;1-3-24-12-8-9-14(25-4-2)13(11-12)20-17-21-16(18)23(22-17)15-7-5-6-10-19-15;1-24-11-6-5-9(13(16)23)8-10(11)19-15-20-14(17)22(21-15)12-4-2-3-7-18-12/h4-9,12H,10-11H2,1-3H3,(H,22,28)(H3,20,23,24,25);2-7,12H,8-11H2,1H3,(H3,20,22,23,24);1-6,11H,7-10H2,(H3,19,21,22,23);5-11H,3-4H2,1-2H3,(H3,18,20,21,22);2-8H,1H3,(H2,16,23)(H3,17,19,20,21).

What are the key properties of 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 1829.43 g/mol, XLogP of 9.12, 29 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxybenzamide;[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone;3-N-(2-chloro-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-diethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 160895385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).