5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine

C140H117ClF6N36O8S2 — CID 158578280

About 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine

5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine (PubChem CID 158578280) has the molecular formula C140H117ClF6N36O8S2 and a molecular weight of 2645.29 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine
• PubChem CID: 158578280
• Molecular Formula: C140H117ClF6N36O8S2
• Molecular Weight: 2645.29 g/mol
• Exact Mass: 2642.89
• IUPAC Name: 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine
• SMILES: COc1ccc2c(Oc3ccc(-c4cnc(Nc5cccc(C(F)(F)F)c5)[nH]4)cc3)ccnc2c1.COc1ccc2c(Oc3ccc(Nc4n[nH]c(-c5cccc(Cl)c5)n4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3cnc(Nc4cccc(C)c4)[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c3ccccc23)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(N)n4)c4ccccc34)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4nc(C(F)(F)F)nc(C)c4C)cc3)n2)c1
• InChI: InChI=1S/C26H19F3N4O2.C24H18ClN5O2.C24H21N7OS.C23H20N8O.C22H19F3N6O.C21H20N6OS/c1-34-20-9-10-21-22(14-20)30-12-11-24(21)35-19-7-5-16(6-8-19)23-15-31-25(33-23)32-18-4-2-3-17(13-18)26(27,28)29;1-31-19-9-10-20-21(14-19)26-12-11-22(20)32-18-7-5-17(6-8-18)27-24-28-23(29-30-24)15-3-2-4-16(25)13-15;1-14-6-5-7-15(12-14)26-23-29-22(30-31-23)18-10-11-19(17-9-4-3-8-16(17)18)32-21-13-20(25)27-24(28-21)33-2;1-13-5-4-6-14(11-13)26-23-29-21(30-31-23)17-9-10-18(16-8-3-2-7-15(16)17)32-20-12-19(24)27-22(25)28-20;1-12-5-4-6-16(11-12)27-21-28-18(30-31-21)15-7-9-17(10-8-15)32-19-13(2)14(3)26-20(29-19)22(23,24)25;1-13-4-3-5-15(10-13)24-20-23-12-17(25-20)14-6-8-16(9-7-14)28-19-11-18(22)26-21(27-19)29-2/h2-15H,1H3,(H2,31,32,33);2-14H,1H3,(H2,27,28,29,30);3-13H,1-2H3,(H2,25,27,28)(H2,26,29,30,31);2-12H,1H3,(H4,24,25,27,28)(H2,26,29,30,31);4-11H,1-3H3,(H2,27,28,30,31);3-12H,1-2H3,(H2,22,26,27)(H2,23,24,25)
• InChIKey: HSXWPGDNHZGBDN-UHFFFAOYSA-N
• XLogP: 34.15
• TPSA: 602.64 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 34
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2645.29
LogP ≤ 5	34.15
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine?

The IUPAC name of 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine (CID 158578280) is 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine.

What is the SMILES notation for 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine?

The canonical SMILES for 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine is COc1ccc2c(Oc3ccc(-c4cnc(Nc5cccc(C(F)(F)F)c5)[nH]4)cc3)ccnc2c1.COc1ccc2c(Oc3ccc(Nc4n[nH]c(-c5cccc(Cl)c5)n4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3cnc(Nc4cccc(C)c4)[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c3ccccc23)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(N)n4)c4ccccc34)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4nc(C(F)(F)F)nc(C)c4C)cc3)n2)c1.

What is the InChIKey of 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine?

The InChIKey is HSXWPGDNHZGBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O2.C24H18ClN5O2.C24H21N7OS.C23H20N8O.C22H19F3N6O.C21H20N6OS/c1-34-20-9-10-21-22(14-20)30-12-11-24(21)35-19-7-5-16(6-8-19)23-15-31-25(33-23)32-18-4-2-3-17(13-18)26(27,28)29;1-31-19-9-10-20-21(14-19)26-12-11-22(20)32-18-7-5-17(6-8-18)27-24-28-23(29-30-24)15-3-2-4-16(25)13-15;1-14-6-5-7-15(12-14)26-23-29-22(30-31-23)18-10-11-19(17-9-4-3-8-16(17)18)32-21-13-20(25)27-24(28-21)33-2;1-13-5-4-6-14(11-13)26-23-29-21(30-31-23)17-9-10-18(16-8-3-2-7-15(16)17)32-20-12-19(24)27-22(25)28-20;1-12-5-4-6-16(11-12)27-21-28-18(30-31-21)15-7-9-17(10-8-15)32-19-13(2)14(3)26-20(29-19)22(23,24)25;1-13-4-3-5-15(10-13)24-20-23-12-17(25-20)14-6-8-16(9-7-14)28-19-11-18(22)26-21(27-19)29-2/h2-15H,1H3,(H2,31,32,33);2-14H,1H3,(H2,27,28,29,30);3-13H,1-2H3,(H2,25,27,28)(H2,26,29,30,31);2-12H,1H3,(H4,24,25,27,28)(H2,26,29,30,31);4-11H,1-3H3,(H2,27,28,30,31);3-12H,1-2H3,(H2,22,26,27)(H2,23,24,25).

What are the key properties of 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine?

5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine has a molecular weight of 2645.29 g/mol, XLogP of 34.15, 34 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine is sourced from PubChem (CID 158578280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).