3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C61H64Cl2N24O7 — CID 157275121

About 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 157275121) has the molecular formula C61H64Cl2N24O7 and a molecular weight of 1316.25 g/mol. Its IUPAC name is 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 157275121
• Molecular Formula: C61H64Cl2N24O7
• Molecular Weight: 1316.25 g/mol
• Exact Mass: 1314.48
• IUPAC Name: 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: CCOc1cc(Nc2nc(N)n(-c3ccccn3)n2)ccc1OC.COc1cc(Cl)c(C)cc1Nc1nc(N)n(-c2ccccn2)n1.COc1cc(OC)c(Nc2nc(N)n(-c3ccccn3)n2)cc1Cl.COc1cccc(Nc2nc(N)n(-c3ccccn3)n2)c1OC
• InChI: InChI=1S/C16H18N6O2.C15H15ClN6O2.C15H15ClN6O.C15H16N6O2/c1-3-24-13-10-11(7-8-12(13)23-2)19-16-20-15(17)22(21-16)14-6-4-5-9-18-14;1-23-11-8-12(24-2)10(7-9(11)16)19-15-20-14(17)22(21-15)13-5-3-4-6-18-13;1-9-7-11(12(23-2)8-10(9)16)19-15-20-14(17)22(21-15)13-5-3-4-6-18-13;1-22-11-7-5-6-10(13(11)23-2)18-15-19-14(16)21(20-15)12-8-3-4-9-17-12/h4-10H,3H2,1-2H3,(H3,17,19,20,21);3-8H,1-2H3,(H3,17,19,20,21);3-8H,1-2H3,(H3,17,19,20,21);3-9H,1-2H3,(H3,16,18,19,20)
• InChIKey: AYZVOYODJZLNRT-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 391.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1316.25
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The IUPAC name of 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 157275121) is 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is CCOc1cc(Nc2nc(N)n(-c3ccccn3)n2)ccc1OC.COc1cc(Cl)c(C)cc1Nc1nc(N)n(-c2ccccn2)n1.COc1cc(OC)c(Nc2nc(N)n(-c3ccccn3)n2)cc1Cl.COc1cccc(Nc2nc(N)n(-c3ccccn3)n2)c1OC.

What is the InChIKey of 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is AYZVOYODJZLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2.C15H15ClN6O2.C15H15ClN6O.C15H16N6O2/c1-3-24-13-10-11(7-8-12(13)23-2)19-16-20-15(17)22(21-16)14-6-4-5-9-18-14;1-23-11-8-12(24-2)10(7-9(11)16)19-15-20-14(17)22(21-15)13-5-3-4-6-18-13;1-9-7-11(12(23-2)8-10(9)16)19-15-20-14(17)22(21-15)13-5-3-4-6-18-13;1-22-11-7-5-6-10(13(11)23-2)18-15-19-14(16)21(20-15)12-8-3-4-9-17-12/h4-10H,3H2,1-2H3,(H3,17,19,20,21);3-8H,1-2H3,(H3,17,19,20,21);3-8H,1-2H3,(H3,17,19,20,21);3-9H,1-2H3,(H3,16,18,19,20).

What are the key properties of 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 1316.25 g/mol, XLogP of 10.02, 20 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(5-chloro-2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(4-chloro-2-methoxy-5-methylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,3-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 157275121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).