5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine

C121H83Cl5F18N34O8 — CID 158134409

About 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine

5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine (PubChem CID 158134409) has the molecular formula C121H83Cl5F18N34O8 and a molecular weight of 2660.45 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine
• PubChem CID: 158134409
• Molecular Formula: C121H83Cl5F18N34O8
• Molecular Weight: 2660.45 g/mol
• Exact Mass: 2656.53
• IUPAC Name: 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine
• SMILES: CNC(=O)c1cc(Oc2ccc(Nc3n[nH]c(-c4ccc(Cl)c(C(F)(F)F)c4)n3)cc2)ccn1.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4cccnc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4ccncc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4cncnc4)cc3)n[nH]2)ccc1Cl.Nc1cc(Oc2ccc(-c3ccc(Nc4cccc(C(F)(F)F)c4)o3)cc2)nc(N)n1.Nc1ccc(Oc2ccc(Nc3n[nH]c(-c4ccc(Cl)c(C(F)(F)F)c4)n3)cc2)nn1
• InChI: InChI=1S/C22H16ClF3N6O2.C21H16F3N5O2.2C20H13ClF3N5O.C19H13ClF3N7O.C19H12ClF3N6O/c1-27-20(33)18-11-15(8-9-28-18)34-14-5-3-13(4-6-14)29-21-30-19(31-32-21)12-2-7-17(23)16(10-12)22(24,25)26;22-21(23,24)13-2-1-3-14(10-13)27-18-9-8-16(31-18)12-4-6-15(7-5-12)30-19-11-17(25)28-20(26)29-19;21-17-6-1-12(11-16(17)20(22,23)24)18-27-19(29-28-18)26-13-2-4-14(5-3-13)30-15-7-9-25-10-8-15;21-17-8-3-12(10-16(17)20(22,23)24)18-27-19(29-28-18)26-13-4-6-14(7-5-13)30-15-2-1-9-25-11-15;20-14-6-1-10(9-13(14)19(21,22)23)17-26-18(30-29-17)25-11-2-4-12(5-3-11)31-16-8-7-15(24)27-28-16;20-16-6-1-11(7-15(16)19(21,22)23)17-27-18(29-28-17)26-12-2-4-13(5-3-12)30-14-8-24-10-25-9-14/h2-11H,1H3,(H,27,33)(H2,29,30,31,32);1-11,27H,(H4,25,26,28,29);2*1-11H,(H2,26,27,28,29);1-9H,(H2,24,27)(H2,25,26,29,30);1-10H,(H2,26,27,28,29)
• InChIKey: FTEBWNYHLVBHMD-UHFFFAOYSA-N
• XLogP: 33.56
• TPSA: 571.72 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2660.45
LogP ≤ 5	33.56
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine?

The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine (CID 158134409) is 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine?

The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine is CNC(=O)c1cc(Oc2ccc(Nc3n[nH]c(-c4ccc(Cl)c(C(F)(F)F)c4)n3)cc2)ccn1.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4cccnc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4ccncc4)cc3)n[nH]2)ccc1Cl.FC(F)(F)c1cc(-c2nc(Nc3ccc(Oc4cncnc4)cc3)n[nH]2)ccc1Cl.Nc1cc(Oc2ccc(-c3ccc(Nc4cccc(C(F)(F)F)c4)o3)cc2)nc(N)n1.Nc1ccc(Oc2ccc(Nc3n[nH]c(-c4ccc(Cl)c(C(F)(F)F)c4)n3)cc2)nn1.

What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine?

The InChIKey is FTEBWNYHLVBHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N6O2.C21H16F3N5O2.2C20H13ClF3N5O.C19H13ClF3N7O.C19H12ClF3N6O/c1-27-20(33)18-11-15(8-9-28-18)34-14-5-3-13(4-6-14)29-21-30-19(31-32-21)12-2-7-17(23)16(10-12)22(24,25)26;22-21(23,24)13-2-1-3-14(10-13)27-18-9-8-16(31-18)12-4-6-15(7-5-12)30-19-11-17(25)28-20(26)29-19;21-17-6-1-12(11-16(17)20(22,23)24)18-27-19(29-28-18)26-13-2-4-14(5-3-13)30-15-7-9-25-10-8-15;21-17-8-3-12(10-16(17)20(22,23)24)18-27-19(29-28-18)26-13-4-6-14(7-5-13)30-15-2-1-9-25-11-15;20-14-6-1-10(9-13(14)19(21,22)23)17-26-18(30-29-17)25-11-2-4-12(5-3-11)31-16-8-7-15(24)27-28-16;20-16-6-1-11(7-15(16)19(21,22)23)17-27-18(29-28-17)26-12-2-4-13(5-3-12)30-14-8-24-10-25-9-14/h2-11H,1H3,(H,27,33)(H2,29,30,31,32);1-11,27H,(H4,25,26,28,29);2*1-11H,(H2,26,27,28,29);1-9H,(H2,24,27)(H2,25,26,29,30);1-10H,(H2,26,27,28,29).

What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine?

5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine has a molecular weight of 2660.45 g/mol, XLogP of 33.56, 31 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 158134409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).