4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine

C158H140F3N51O10S — CID 157157995

About 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine

4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 157157995) has the molecular formula C158H140F3N51O10S and a molecular weight of 3002.27 g/mol. Its IUPAC name is 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 157157995
• Molecular Formula: C158H140F3N51O10S
• Molecular Weight: 3002.27 g/mol
• Exact Mass: 3000.17
• IUPAC Name: 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine
• SMILES: Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)ncn4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(N)c4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccncc4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccncc4C(F)(F)F)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccncc4S(N)(=O)=O)c3)n2)c1
• InChI: InChI=1S/C21H16F3N5O.C20H19N7O.C20H18N6O3S.C20H18N6O.C20H17N5O.C19H18N8O.2C19H17N7O/c1-13-4-2-6-15(10-13)26-20-27-19(28-29-20)14-5-3-7-16(11-14)30-18-8-9-25-12-17(18)21(22,23)24;1-12-5-3-7-15(9-12)24-20-25-19(26-27-20)14-6-4-8-16(10-14)28-18-11-17(21)22-13(2)23-18;1-13-4-2-6-15(10-13)23-20-24-19(25-26-20)14-5-3-7-16(11-14)29-17-8-9-22-12-18(17)30(21,27)28;1-13-4-2-6-15(10-13)23-20-24-19(25-26-20)14-5-3-7-16(11-14)27-17-8-9-22-18(21)12-17;1-14-4-2-6-16(12-14)22-20-23-19(24-25-20)15-5-3-7-18(13-15)26-17-8-10-21-11-9-17;1-11-4-2-6-13(8-11)22-19-25-17(26-27-19)12-5-3-7-14(9-12)28-16-10-15(20)23-18(21)24-16;1-12-4-2-6-14(8-12)23-19-24-18(25-26-19)13-5-3-7-15(9-13)27-17-10-16(20)21-11-22-17;1-12-4-2-6-14(10-12)22-19-24-17(25-26-19)13-5-3-7-15(11-13)27-16-8-9-21-18(20)23-16/h2-12H,1H3,(H2,26,27,28,29);3-11H,1-2H3,(H2,21,22,23)(H2,24,25,26,27);2-12H,1H3,(H2,21,27,28)(H2,23,24,25,26);2-12H,1H3,(H2,21,22)(H2,23,24,25,26);2-13H,1H3,(H2,22,23,24,25);2-10H,1H3,(H4,20,21,23,24)(H2,22,25,26,27);2-11H,1H3,(H2,20,21,22)(H2,23,24,25,26);2-11H,1H3,(H2,20,21,23)(H2,22,24,25,26)
• InChIKey: AMAQZPOPLPHGNA-UHFFFAOYSA-N
• XLogP: 32.74
• TPSA: 873.60 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 52
• Rotatable Bonds: 41
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3002.27
LogP ≤ 5	32.74
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine (CID 157157995) is 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine is Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)ncn4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(N)c4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccncc4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccncc4C(F)(F)F)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccncc4S(N)(=O)=O)c3)n2)c1.

What is the InChIKey of 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is AMAQZPOPLPHGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O.C20H19N7O.C20H18N6O3S.C20H18N6O.C20H17N5O.C19H18N8O.2C19H17N7O/c1-13-4-2-6-15(10-13)26-20-27-19(28-29-20)14-5-3-7-16(11-14)30-18-8-9-25-12-17(18)21(22,23)24;1-12-5-3-7-15(9-12)24-20-25-19(26-27-20)14-6-4-8-16(10-14)28-18-11-17(21)22-13(2)23-18;1-13-4-2-6-15(10-13)23-20-24-19(25-26-20)14-5-3-7-16(11-14)29-17-8-9-22-12-18(17)30(21,27)28;1-13-4-2-6-15(10-13)23-20-24-19(25-26-20)14-5-3-7-16(11-14)27-17-8-9-22-18(21)12-17;1-14-4-2-6-16(12-14)22-20-23-19(24-25-20)15-5-3-7-18(13-15)26-17-8-10-21-11-9-17;1-11-4-2-6-13(8-11)22-19-25-17(26-27-19)12-5-3-7-14(9-12)28-16-10-15(20)23-18(21)24-16;1-12-4-2-6-14(8-12)23-19-24-18(25-26-19)13-5-3-7-15(9-13)27-17-10-16(20)21-11-22-17;1-12-4-2-6-14(10-12)22-19-24-17(25-26-19)13-5-3-7-15(11-13)27-16-8-9-21-18(20)23-16/h2-12H,1H3,(H2,26,27,28,29);3-11H,1-2H3,(H2,21,22,23)(H2,24,25,26,27);2-12H,1H3,(H2,21,27,28)(H2,23,24,25,26);2-12H,1H3,(H2,21,22)(H2,23,24,25,26);2-13H,1H3,(H2,22,23,24,25);2-10H,1H3,(H4,20,21,23,24)(H2,22,25,26,27);2-11H,1H3,(H2,20,21,22)(H2,23,24,25,26);2-11H,1H3,(H2,20,21,23)(H2,22,24,25,26).

What are the key properties of 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 3002.27 g/mol, XLogP of 32.74, 41 rotatable bonds, 23 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridine-3-sulfonamide;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 157157995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).