5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine

C172H143F4N35O11 — CID 162130447

About 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine

5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 162130447) has the molecular formula C172H143F4N35O11 and a molecular weight of 2952.26 g/mol. Its IUPAC name is 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 162130447
• Molecular Formula: C172H143F4N35O11
• Molecular Weight: 2952.26 g/mol
• Exact Mass: 2950.16
• IUPAC Name: 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine
• SMILES: COc1cc2nccc(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)c2cc1OC.COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.Cc1cccc(Nc2n[nH]c(-c3ccc(OCc4cc(=O)[nH]c5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(C(F)(F)F)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(C)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)cc(F)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5ccc(C)cc45)cc3)n2)c1
• InChI: InChI=1S/C26H23N5O3.C25H18F3N5O.2C25H21N5O2.2C25H21N5O.C21H18FN5O/c1-16-5-4-6-18(13-16)28-26-29-25(30-31-26)17-7-9-19(10-8-17)34-22-11-12-27-21-15-24(33-3)23(32-2)14-20(21)22;1-15-5-4-6-17(13-15)29-24-31-23(32-33-24)16-9-11-18(12-10-16)34-21-14-22(25(26,27)28)30-20-8-3-2-7-19(20)21;1-16-4-3-5-18(14-16)27-25-28-24(29-30-25)17-6-8-19(9-7-17)32-23-12-13-26-22-15-20(31-2)10-11-21(22)23;1-16-5-4-6-19(13-16)26-25-28-24(29-30-25)17-9-11-20(12-10-17)32-15-18-14-23(31)27-22-8-3-2-7-21(18)22;1-16-6-5-7-19(14-16)27-25-28-24(29-30-25)18-10-12-20(13-11-18)31-23-15-17(2)26-22-9-4-3-8-21(22)23;1-16-4-3-5-19(14-16)27-25-28-24(29-30-25)18-7-9-20(10-8-18)31-23-12-13-26-22-11-6-17(2)15-21(22)23;1-13-3-2-4-17(9-13)24-21-25-20(26-27-21)14-5-7-18(8-6-14)28-19-11-15(22)10-16(23)12-19/h4-15H,1-3H3,(H2,28,29,30,31);2-14H,1H3,(H2,29,31,32,33);3-15H,1-2H3,(H2,27,28,29,30);2-14H,15H2,1H3,(H,27,31)(H2,26,28,29,30);2*3-15H,1-2H3,(H2,27,28,29,30);2-12H,23H2,1H3,(H2,24,25,26,27)
• InChIKey: ZIPAUHZHTGBOSY-UHFFFAOYSA-N
• XLogP: 40.96
• TPSA: 590.83 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 38
• Rotatable Bonds: 39
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2952.26
LogP ≤ 5	40.96
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine (CID 162130447) is 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine is COc1cc2nccc(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)c2cc1OC.COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.Cc1cccc(Nc2n[nH]c(-c3ccc(OCc4cc(=O)[nH]c5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(C(F)(F)F)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(C)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)cc(F)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5ccc(C)cc45)cc3)n2)c1.

What is the InChIKey of 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is ZIPAUHZHTGBOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3.C25H18F3N5O.2C25H21N5O2.2C25H21N5O.C21H18FN5O/c1-16-5-4-6-18(13-16)28-26-29-25(30-31-26)17-7-9-19(10-8-17)34-22-11-12-27-21-15-24(33-3)23(32-2)14-20(21)22;1-15-5-4-6-17(13-15)29-24-31-23(32-33-24)16-9-11-18(12-10-16)34-21-14-22(25(26,27)28)30-20-8-3-2-7-19(20)21;1-16-4-3-5-18(14-16)27-25-28-24(29-30-25)17-6-8-19(9-7-17)32-23-12-13-26-22-15-20(31-2)10-11-21(22)23;1-16-5-4-6-19(13-16)26-25-28-24(29-30-25)17-9-11-20(12-10-17)32-15-18-14-23(31)27-22-8-3-2-7-21(18)22;1-16-6-5-7-19(14-16)27-25-28-24(29-30-25)18-10-12-20(13-11-18)31-23-15-17(2)26-22-9-4-3-8-21(22)23;1-16-4-3-5-19(14-16)27-25-28-24(29-30-25)18-7-9-20(10-8-18)31-23-12-13-26-22-11-6-17(2)15-21(22)23;1-13-3-2-4-17(9-13)24-21-25-20(26-27-21)14-5-7-18(8-6-14)28-19-11-15(22)10-16(23)12-19/h4-15H,1-3H3,(H2,28,29,30,31);2-14H,1H3,(H2,29,31,32,33);3-15H,1-2H3,(H2,27,28,29,30);2-14H,15H2,1H3,(H,27,31)(H2,26,28,29,30);2*3-15H,1-2H3,(H2,27,28,29,30);2-12H,23H2,1H3,(H2,24,25,26,27).

What are the key properties of 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 2952.26 g/mol, XLogP of 40.96, 39 rotatable bonds, 16 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(3-amino-5-fluorophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;N-(3-methylphenyl)-5-[4-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 162130447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).