3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine

C66H71ClF3N25O9 — CID 160919770

About 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine

3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 160919770) has the molecular formula C66H71ClF3N25O9 and a molecular weight of 1450.91 g/mol. Its IUPAC name is 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine
• PubChem CID: 160919770
• Molecular Formula: C66H71ClF3N25O9
• Molecular Weight: 1450.91 g/mol
• Exact Mass: 1449.55
• IUPAC Name: 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine
• SMILES: COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccccn2)n1.COc1cc(Nc2nc(N)n(-c3ccccn3)n2)c(OC)cc1Cl.COc1ccc(Nc2nc(N)n(-c3cc(C(F)(F)F)cc(C)n3)n2)c(OC)c1.COc1ccc(Nc2nc(N)n(-c3ccccn3)n2)c(OC)c1OC
• InChI: InChI=1S/C18H21N7O2.C17H17F3N6O2.C16H18N6O3.C15H15ClN6O2/c1-26-15-12-13(24-8-10-27-11-9-24)5-6-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16;1-9-6-10(17(18,19)20)7-14(22-9)26-15(21)24-16(25-26)23-12-5-4-11(27-2)8-13(12)28-3;1-23-11-8-7-10(13(24-2)14(11)25-3)19-16-20-15(17)22(21-16)12-6-4-5-9-18-12;1-23-11-8-10(12(24-2)7-9(11)16)19-15-20-14(17)22(21-15)13-5-3-4-6-18-13/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23);4-8H,1-3H3,(H3,21,23,24,25);4-9H,1-3H3,(H3,17,19,20,21);3-8H,1-2H3,(H3,17,19,20,21)
• InChIKey: SRWIRQZAYHFZSH-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 412.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1450.91
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

The IUPAC name of 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine (CID 160919770) is 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine is COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccccn2)n1.COc1cc(Nc2nc(N)n(-c3ccccn3)n2)c(OC)cc1Cl.COc1ccc(Nc2nc(N)n(-c3cc(C(F)(F)F)cc(C)n3)n2)c(OC)c1.COc1ccc(Nc2nc(N)n(-c3ccccn3)n2)c(OC)c1OC.

What is the InChIKey of 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

The InChIKey is SRWIRQZAYHFZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2.C17H17F3N6O2.C16H18N6O3.C15H15ClN6O2/c1-26-15-12-13(24-8-10-27-11-9-24)5-6-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16;1-9-6-10(17(18,19)20)7-14(22-9)26-15(21)24-16(25-26)23-12-5-4-11(27-2)8-13(12)28-3;1-23-11-8-7-10(13(24-2)14(11)25-3)19-16-20-15(17)22(21-16)12-6-4-5-9-18-12;1-23-11-8-10(12(24-2)7-9(11)16)19-15-20-14(17)22(21-15)13-5-3-4-6-18-13/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23);4-8H,1-3H3,(H3,21,23,24,25);4-9H,1-3H3,(H3,17,19,20,21);3-8H,1-2H3,(H3,17,19,20,21).

What are the key properties of 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 1450.91 g/mol, XLogP of 9.84, 21 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(4-chloro-2,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,3,4-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 160919770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).