5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine

C107H103F3N32O9 — CID 158665155

About 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine

5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 158665155) has the molecular formula C107H103F3N32O9 and a molecular weight of 2038.21 g/mol. Its IUPAC name is 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 158665155
• Molecular Formula: C107H103F3N32O9
• Molecular Weight: 2038.21 g/mol
• Exact Mass: 2036.85
• IUPAC Name: 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
• SMILES: CCOc1nccc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(OC(C)(C)C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(OC(F)(F)F)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(OC(C)(C)C)n4)c3)n2)c1
• InChI: InChI=1S/C23H25N7O2.C23H24N6O2.C21H20N6O2.C20H16F3N7O2.C20H18N6O/c1-14-7-5-9-16(11-14)25-21-28-20(29-30-21)15-8-6-10-17(12-15)31-19-13-18(24)26-22(27-19)32-23(2,3)4;1-15-7-5-9-17(13-15)25-21-27-20(28-29-21)16-8-6-10-18(14-16)30-19-11-12-24-22(26-19)31-23(2,3)4;1-3-28-21-22-11-10-18(24-21)29-17-9-5-7-15(13-17)19-25-20(27-26-19)23-16-8-4-6-14(2)12-16;1-11-4-2-6-13(8-11)25-18-28-17(29-30-18)12-5-3-7-14(9-12)31-16-10-15(24)26-19(27-16)32-20(21,22)23;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/h5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);5-14H,1-4H3,(H2,25,27,28,29);4-13H,3H2,1-2H3,(H2,23,25,26,27);2-10H,1H3,(H2,24,26,27)(H2,25,28,29,30);3-12H,1-2H3,(H2,23,24,25,26)
• InChIKey: IDGIYVKYNMOQBL-UHFFFAOYSA-N
• XLogP: 23.65
• TPSA: 532.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.21
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine (CID 158665155) is 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine is CCOc1nccc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(OC(C)(C)C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(OC(F)(F)F)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(OC(C)(C)C)n4)c3)n2)c1.

What is the InChIKey of 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is IDGIYVKYNMOQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2.C23H24N6O2.C21H20N6O2.C20H16F3N7O2.C20H18N6O/c1-14-7-5-9-16(11-14)25-21-28-20(29-30-21)15-8-6-10-17(12-15)31-19-13-18(24)26-22(27-19)32-23(2,3)4;1-15-7-5-9-17(13-15)25-21-27-20(28-29-21)16-8-6-10-18(14-16)30-19-11-12-24-22(26-19)31-23(2,3)4;1-3-28-21-22-11-10-18(24-21)29-17-9-5-7-15(13-17)19-25-20(27-26-19)23-16-8-4-6-14(2)12-16;1-11-4-2-6-13(8-11)25-18-28-17(29-30-18)12-5-3-7-14(9-12)31-16-10-15(24)26-19(27-16)32-20(21,22)23;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/h5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);5-14H,1-4H3,(H2,25,27,28,29);4-13H,3H2,1-2H3,(H2,23,25,26,27);2-10H,1H3,(H2,24,26,27)(H2,25,28,29,30);3-12H,1-2H3,(H2,23,24,25,26).

What are the key properties of 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 2038.21 g/mol, XLogP of 23.65, 30 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 158665155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).