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-(5,6,7,8-tetrahydronaphthalen-1-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

C68H74F3N25O7 — CID 158306999

About 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-(5,6,7,8-tetrahydronaphthalen-1-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-(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-(5,6,7,8-tetrahydronaphthalen-1-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 158306999) has the molecular formula C68H74F3N25O7 and a molecular weight of 1410.50 g/mol. Its IUPAC name is 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-(5,6,7,8-tetrahydronaphthalen-1-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-(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-(5,6,7,8-tetrahydronaphthalen-1-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: 158306999
• Molecular Formula: C68H74F3N25O7
• Molecular Weight: 1410.50 g/mol
• Exact Mass: 1409.62
• IUPAC Name: 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-(5,6,7,8-tetrahydronaphthalen-1-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.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.Nc1nc(Nc2cccc3c2CCCC3)nn1-c1ccccn1
• InChI: InChI=1S/C18H21N7O2.C17H17F3N6O2.C17H18N6.C16H18N6O3/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;18-16-21-17(22-23(16)15-10-3-4-11-19-15)20-14-9-5-7-12-6-1-2-8-13(12)14;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/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23);4-8H,1-3H3,(H3,21,23,24,25);3-5,7,9-11H,1-2,6,8H2,(H3,18,20,21,22);4-9H,1-3H3,(H3,17,19,20,21)
• InChIKey: GNEXZVLDZVGLDH-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 394.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1410.50
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 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-(5,6,7,8-tetrahydronaphthalen-1-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-(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-(5,6,7,8-tetrahydronaphthalen-1-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 158306999) is 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-(5,6,7,8-tetrahydronaphthalen-1-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-(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-(5,6,7,8-tetrahydronaphthalen-1-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-(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-(5,6,7,8-tetrahydronaphthalen-1-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.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.Nc1nc(Nc2cccc3c2CCCC3)nn1-c1ccccn1.

What is the InChIKey of 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-(5,6,7,8-tetrahydronaphthalen-1-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 GNEXZVLDZVGLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2.C17H17F3N6O2.C17H18N6.C16H18N6O3/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;18-16-21-17(22-23(16)15-10-3-4-11-19-15)20-14-9-5-7-12-6-1-2-8-13(12)14;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/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23);4-8H,1-3H3,(H3,21,23,24,25);3-5,7,9-11H,1-2,6,8H2,(H3,18,20,21,22);4-9H,1-3H3,(H3,17,19,20,21).

What are the key properties of 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-(5,6,7,8-tetrahydronaphthalen-1-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-(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-(5,6,7,8-tetrahydronaphthalen-1-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 1410.50 g/mol, XLogP of 10.05, 19 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(5,6,7,8-tetrahydronaphthalen-1-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 158306999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).