5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine

C159H131ClFN37O8S2 — CID 159874828

About 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine

5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 159874828) has the molecular formula C159H131ClFN37O8S2 and a molecular weight of 2806.63 g/mol. Its IUPAC name is 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 159874828
• Molecular Formula: C159H131ClFN37O8S2
• Molecular Weight: 2806.63 g/mol
• Exact Mass: 2804.01
• IUPAC Name: 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine
• SMILES: CSc1nc(N)cc(Sc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(OCc4ccncc4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(F)cc([N+](=O)[O-])c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(C)ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(Cl)ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cncc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4nccc5ccccc45)cc3)n2)c1
• InChI: InChI=1S/C25H21N5O.C24H18ClN5O.2C24H19N5O.C21H16FN5O3.C21H19N5O.C20H19N7S2/c1-16-4-3-5-19(14-16)27-25-28-24(29-30-25)18-7-9-20(10-8-18)31-23-12-13-26-22-15-17(2)6-11-21(22)23;1-15-3-2-4-18(13-15)27-24-28-23(29-30-24)16-5-8-19(9-6-16)31-22-11-12-26-21-14-17(25)7-10-20(21)22;1-16-5-4-7-19(13-16)26-24-27-23(28-29-24)17-9-11-20(12-10-17)30-22-15-25-14-18-6-2-3-8-21(18)22;1-16-5-4-7-19(15-16)26-24-27-22(28-29-24)18-9-11-20(12-10-18)30-23-21-8-3-2-6-17(21)13-14-25-23;1-13-3-2-4-16(9-13)23-21-24-20(25-26-21)14-5-7-18(8-6-14)30-19-11-15(22)10-17(12-19)27(28)29;1-15-3-2-4-18(13-15)23-21-24-20(25-26-21)17-5-7-19(8-6-17)27-14-16-9-11-22-12-10-16;1-12-4-3-5-14(10-12)22-19-25-18(26-27-19)13-6-8-15(9-7-13)29-17-11-16(21)23-20(24-17)28-2/h3-15H,1-2H3,(H2,27,28,29,30);2-14H,1H3,(H2,27,28,29,30);2*2-15H,1H3,(H2,26,27,28,29);2-12H,1H3,(H2,23,24,25,26);2-13H,14H2,1H3,(H2,23,24,25,26);3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27)
• InChIKey: NSTQDDWBBVGRPG-UHFFFAOYSA-N
• XLogP: 39.05
• TPSA: 589.97 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 39
• Rotatable Bonds: 38
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2806.63
LogP ≤ 5	39.05
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine (CID 159874828) is 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine is CSc1nc(N)cc(Sc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(OCc4ccncc4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(F)cc([N+](=O)[O-])c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(C)ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(Cl)ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cncc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4nccc5ccccc45)cc3)n2)c1.

What is the InChIKey of 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is NSTQDDWBBVGRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O.C24H18ClN5O.2C24H19N5O.C21H16FN5O3.C21H19N5O.C20H19N7S2/c1-16-4-3-5-19(14-16)27-25-28-24(29-30-25)18-7-9-20(10-8-18)31-23-12-13-26-22-15-17(2)6-11-21(22)23;1-15-3-2-4-18(13-15)27-24-28-23(29-30-24)16-5-8-19(9-6-16)31-22-11-12-26-21-14-17(25)7-10-20(21)22;1-16-5-4-7-19(13-16)26-24-27-23(28-29-24)17-9-11-20(12-10-17)30-22-15-25-14-18-6-2-3-8-21(18)22;1-16-5-4-7-19(15-16)26-24-27-22(28-29-24)18-9-11-20(12-10-18)30-23-21-8-3-2-6-17(21)13-14-25-23;1-13-3-2-4-16(9-13)23-21-24-20(25-26-21)14-5-7-18(8-6-14)30-19-11-15(22)10-17(12-19)27(28)29;1-15-3-2-4-18(13-15)23-21-24-20(25-26-21)17-5-7-19(8-6-17)27-14-16-9-11-22-12-10-16;1-12-4-3-5-14(10-12)22-19-25-18(26-27-19)13-6-8-15(9-7-13)29-17-11-16(21)23-20(24-17)28-2/h3-15H,1-2H3,(H2,27,28,29,30);2-14H,1H3,(H2,27,28,29,30);2*2-15H,1H3,(H2,26,27,28,29);2-12H,1H3,(H2,23,24,25,26);2-13H,14H2,1H3,(H2,23,24,25,26);3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27).

What are the key properties of 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine?

5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 2806.63 g/mol, XLogP of 39.05, 38 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159874828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).