2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine

C143H129N37O11 — CID 159815030

About 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine

2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 159815030) has the molecular formula C143H129N37O11 and a molecular weight of 2541.85 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 159815030
• Molecular Formula: C143H129N37O11
• Molecular Weight: 2541.85 g/mol
• Exact Mass: 2540.07
• IUPAC Name: 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
• SMILES: COCCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.COc1ccc2c(Oc3cc(-c4nc(Nc5cccc(C)c5)n[nH]4)ccc3C)ccnc2c1.COc1ccc2c(Oc3cccc(-c4nc(Nc5cccc(C)c5)n[nH]4)c3)cc(C)nc2c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc5cc(OCc6ccccc6)ccc45)c3)n2)c1
• InChI: InChI=1S/C31H25N5O2.2C26H23N5O2.C22H23N7O3.C19H18N8O.C19H17N7O/c1-21-7-5-11-24(17-21)33-31-34-30(35-36-31)23-10-6-12-26(18-23)38-29-15-16-32-28-19-25(13-14-27(28)29)37-20-22-8-3-2-4-9-22;1-16-6-4-8-19(12-16)28-26-29-25(30-31-26)18-7-5-9-21(14-18)33-24-13-17(2)27-23-15-20(32-3)10-11-22(23)24;1-16-5-4-6-19(13-16)28-26-29-25(30-31-26)18-8-7-17(2)24(14-18)33-23-11-12-27-22-15-20(32-3)9-10-21(22)23;1-14-5-3-7-16(11-14)24-21-27-20(28-29-21)15-6-4-8-17(12-15)32-19-13-18(23)25-22(26-19)31-10-9-30-2;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(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/h2-19H,20H2,1H3,(H2,33,34,35,36);2*4-15H,1-3H3,(H2,28,29,30,31);3-8,11-13H,9-10H2,1-2H3,(H2,23,25,26)(H2,24,27,28,29);2-10H,1H3,(H4,20,21,23,24)(H2,22,25,26,27);2-11H,1H3,(H2,20,21,23)(H2,22,24,25,26)
• InChIKey: NLMWIEZEMYKXJZ-UHFFFAOYSA-N
• XLogP: 30.48
• TPSA: 643.22 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 42
• Rotatable Bonds: 39
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2541.85
LogP ≤ 5	30.48
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine (CID 159815030) is 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine is COCCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.COc1ccc2c(Oc3cc(-c4nc(Nc5cccc(C)c5)n[nH]4)ccc3C)ccnc2c1.COc1ccc2c(Oc3cccc(-c4nc(Nc5cccc(C)c5)n[nH]4)c3)cc(C)nc2c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc5cc(OCc6ccccc6)ccc45)c3)n2)c1.

What is the InChIKey of 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is NLMWIEZEMYKXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O2.2C26H23N5O2.C22H23N7O3.C19H18N8O.C19H17N7O/c1-21-7-5-11-24(17-21)33-31-34-30(35-36-31)23-10-6-12-26(18-23)38-29-15-16-32-28-19-25(13-14-27(28)29)37-20-22-8-3-2-4-9-22;1-16-6-4-8-19(12-16)28-26-29-25(30-31-26)18-7-5-9-21(14-18)33-24-13-17(2)27-23-15-20(32-3)10-11-22(23)24;1-16-5-4-6-19(13-16)28-26-29-25(30-31-26)18-8-7-17(2)24(14-18)33-23-11-12-27-22-15-20(32-3)9-10-21(22)23;1-14-5-3-7-16(11-14)24-21-27-20(28-29-21)15-6-4-8-17(12-15)32-19-13-18(23)25-22(26-19)31-10-9-30-2;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(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/h2-19H,20H2,1H3,(H2,33,34,35,36);2*4-15H,1-3H3,(H2,28,29,30,31);3-8,11-13H,9-10H2,1-2H3,(H2,23,25,26)(H2,24,27,28,29);2-10H,1H3,(H4,20,21,23,24)(H2,22,25,26,27);2-11H,1H3,(H2,20,21,23)(H2,22,24,25,26).

What are the key properties of 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 2541.85 g/mol, XLogP of 30.48, 39 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxy-4-methylphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;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]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-[3-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159815030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).