4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine

C153H131F3N40O11S — CID 160743355

About 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine

4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 160743355) has the molecular formula C153H131F3N40O11S and a molecular weight of 2795.06 g/mol. Its IUPAC name is 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 160743355
• Molecular Formula: C153H131F3N40O11S
• Molecular Weight: 2795.06 g/mol
• Exact Mass: 2793.06
• IUPAC Name: 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine
• SMILES: CCOc1cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)nc(N)n1.COc1ccc2c(Oc3cccc(-c4nc(Nc5cccc(C)c5)n[nH]4)c3)ccnc2c1.CSc1nc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)c2cc[nH]c2n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(C)nc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(C)n4)c3)n2)c1.Cc1cccc(Nc2nnc(-c3cccc(Oc4ccnc5ccccc45)c3)o2)c1.Cc1cccc(Nc2nnc(-c3cccc(Oc4ccncc4C(F)(F)F)c3)o2)c1
• InChI: InChI=1S/C25H21N5O2.C24H18N4O2.C22H19N7OS.C21H15F3N4O2.C21H21N7O2.C20H19N7O.C20H18N6O/c1-16-5-3-7-18(13-16)27-25-28-24(29-30-25)17-6-4-8-20(14-17)32-23-11-12-26-22-15-19(31-2)9-10-21(22)23;1-16-6-4-8-18(14-16)26-24-28-27-23(30-24)17-7-5-9-19(15-17)29-22-12-13-25-21-11-3-2-10-20(21)22;1-13-5-3-7-15(11-13)24-21-25-18(28-29-21)14-6-4-8-16(12-14)30-20-17-9-10-23-19(17)26-22(27-20)31-2;1-13-4-2-6-15(10-13)26-20-28-27-19(30-20)14-5-3-7-16(11-14)29-18-8-9-25-12-17(18)21(22,23)24;1-3-29-17-12-18(25-20(22)24-17)30-16-9-5-7-14(11-16)19-26-21(28-27-19)23-15-8-4-6-13(2)10-15;1-12-5-3-7-15(9-12)23-20-25-18(26-27-20)14-6-4-8-16(11-14)28-17-10-13(2)22-19(21)24-17;1-13-5-3-7-16(11-13)23-20-24-19(25-26-20)15-6-4-8-17(12-15)27-18-9-10-21-14(2)22-18/h3-15H,1-2H3,(H2,27,28,29,30);2-15H,1H3,(H,26,28);3-12H,1-2H3,(H,23,26,27)(H2,24,25,28,29);2-12H,1H3,(H,26,28);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-11H,1-2H3,(H2,21,22,24)(H2,23,25,26,27);3-12H,1-2H3,(H2,23,24,25,26)
• InChIKey: RVWMBTFOBIIGHP-UHFFFAOYSA-N
• XLogP: 35.80
• TPSA: 662.59 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 46
• Rotatable Bonds: 39
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2795.06
LogP ≤ 5	35.80
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine (CID 160743355) is 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine is CCOc1cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)nc(N)n1.COc1ccc2c(Oc3cccc(-c4nc(Nc5cccc(C)c5)n[nH]4)c3)ccnc2c1.CSc1nc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)c2cc[nH]c2n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(C)nc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(C)n4)c3)n2)c1.Cc1cccc(Nc2nnc(-c3cccc(Oc4ccnc5ccccc45)c3)o2)c1.Cc1cccc(Nc2nnc(-c3cccc(Oc4ccncc4C(F)(F)F)c3)o2)c1.

What is the InChIKey of 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine?

The InChIKey is RVWMBTFOBIIGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2.C24H18N4O2.C22H19N7OS.C21H15F3N4O2.C21H21N7O2.C20H19N7O.C20H18N6O/c1-16-5-3-7-18(13-16)27-25-28-24(29-30-25)17-6-4-8-20(14-17)32-23-11-12-26-22-15-19(31-2)9-10-21(22)23;1-16-6-4-8-18(14-16)26-24-28-27-23(30-24)17-7-5-9-19(15-17)29-22-12-13-25-21-11-3-2-10-20(21)22;1-13-5-3-7-15(11-13)24-21-25-18(28-29-21)14-6-4-8-16(12-14)30-20-17-9-10-23-19(17)26-22(27-20)31-2;1-13-4-2-6-15(10-13)26-20-28-27-19(30-20)14-5-3-7-16(11-14)29-18-8-9-25-12-17(18)21(22,23)24;1-3-29-17-12-18(25-20(22)24-17)30-16-9-5-7-14(11-16)19-26-21(28-27-19)23-15-8-4-6-13(2)10-15;1-12-5-3-7-15(9-12)23-20-25-18(26-27-20)14-6-4-8-16(11-14)28-17-10-13(2)22-19(21)24-17;1-13-5-3-7-16(11-13)23-20-24-19(25-26-20)15-6-4-8-17(12-15)27-18-9-10-21-14(2)22-18/h3-15H,1-2H3,(H2,27,28,29,30);2-15H,1H3,(H,26,28);3-12H,1-2H3,(H,23,26,27)(H2,24,25,28,29);2-12H,1H3,(H,26,28);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-11H,1-2H3,(H2,21,22,24)(H2,23,25,26,27);3-12H,1-2H3,(H2,23,24,25,26).

What are the key properties of 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine?

4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 2795.06 g/mol, XLogP of 35.80, 39 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[(2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 160743355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).