4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C69H80N26O5 — CID 162216168

About 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)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-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 162216168) has the molecular formula C69H80N26O5 and a molecular weight of 1353.58 g/mol. Its IUPAC name is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)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-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 162216168
• Molecular Formula: C69H80N26O5
• Molecular Weight: 1353.58 g/mol
• Exact Mass: 1352.68
• IUPAC Name: 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: CC(=O)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.CCC(C)(C)c1ccc(OC)c(Nc2nc(N)n(-c3ccccn3)n2)c1.CCN(CC)CCNC(=O)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.COc1ccc(OC)c(Nc2nc(N)n(-c3ccccn3)n2)c1
• InChI: InChI=1S/C20H26N8O.C19H24N6O.C15H16N6O2.C15H14N6O/c1-3-27(4-2)14-13-23-18(29)15-8-10-16(11-9-15)24-20-25-19(21)28(26-20)17-7-5-6-12-22-17;1-5-19(2,3)13-9-10-15(26-4)14(12-13)22-18-23-17(20)25(24-18)16-8-6-7-11-21-16;1-22-10-6-7-12(23-2)11(9-10)18-15-19-14(16)21(20-15)13-5-3-4-8-17-13;1-10(22)11-5-7-12(8-6-11)18-15-19-14(16)21(20-15)13-4-2-3-9-17-13/h5-12H,3-4,13-14H2,1-2H3,(H,23,29)(H3,21,24,25,26);6-12H,5H2,1-4H3,(H3,20,22,23,24);3-9H,1-2H3,(H3,16,18,19,20);2-9H,1H3,(H3,16,18,19,20)
• InChIKey: ZTMMBRVGTDEVKL-UHFFFAOYSA-N
• XLogP: 9.94
• TPSA: 403.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1353.58
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

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-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)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-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 162216168) is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)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-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)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-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is CC(=O)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.CCC(C)(C)c1ccc(OC)c(Nc2nc(N)n(-c3ccccn3)n2)c1.CCN(CC)CCNC(=O)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.COc1ccc(OC)c(Nc2nc(N)n(-c3ccccn3)n2)c1.

What is the InChIKey of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is ZTMMBRVGTDEVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O.C19H24N6O.C15H16N6O2.C15H14N6O/c1-3-27(4-2)14-13-23-18(29)15-8-10-16(11-9-15)24-20-25-19(21)28(26-20)17-7-5-6-12-22-17;1-5-19(2,3)13-9-10-15(26-4)14(12-13)22-18-23-17(20)25(24-18)16-8-6-7-11-21-16;1-22-10-6-7-12(23-2)11(9-10)18-15-19-14(16)21(20-15)13-5-3-4-8-17-13;1-10(22)11-5-7-12(8-6-11)18-15-19-14(16)21(20-15)13-4-2-3-9-17-13/h5-12H,3-4,13-14H2,1-2H3,(H,23,29)(H3,21,24,25,26);6-12H,5H2,1-4H3,(H3,20,22,23,24);3-9H,1-2H3,(H3,16,18,19,20);2-9H,1H3,(H3,16,18,19,20).

What are the key properties of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)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-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 1353.58 g/mol, XLogP of 9.94, 24 rotatable bonds, 9 hydrogen bond donors, and 30 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-(diethylamino)ethyl]benzamide;1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]ethanone;3-N-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 162216168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).