N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)

C136H124N42O6S4 — CID 158883950

About N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)

N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol) (PubChem CID 158883950) has the molecular formula C136H124N42O6S4 and a molecular weight of 2571.04 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol).

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)
• PubChem CID: 158883950
• Molecular Formula: C136H124N42O6S4
• Molecular Weight: 2571.04 g/mol
• Exact Mass: 2568.96
• IUPAC Name: N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)
• SMILES: COc1ccc(Nc2n[nH]c(-c3cccc(C)c3)n2)cc1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c3ccccc23)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c3ccncc23)n1.CSc1nc(N)cc(Sc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.Cc1cccc(-c2nc(Nc3ccc(O)cc3)n[nH]2)c1.Cc1cccc(-c2nc(Nc3ccc(O)cc3)n[nH]2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(N)n4)c4ccccc34)n2)c1
• InChI: InChI=1S/C24H21N7OS.C23H20N8OS.C23H20N8O.C20H19N7S2.C16H16N4O.2C15H14N4O/c1-14-6-5-7-15(12-14)26-23-29-22(30-31-23)18-10-11-19(17-9-4-3-8-16(17)18)32-21-13-20(25)27-24(28-21)33-2;1-13-4-3-5-14(10-13)26-22-29-21(30-31-22)16-6-7-18(17-12-25-9-8-15(16)17)32-20-11-19(24)27-23(28-20)33-2;1-13-5-4-6-14(11-13)26-23-29-21(30-31-23)17-9-10-18(16-8-3-2-7-15(16)17)32-20-12-19(24)27-22(25)28-20;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;1-11-4-3-5-12(10-11)15-18-16(20-19-15)17-13-6-8-14(21-2)9-7-13;2*1-10-3-2-4-11(9-10)14-17-15(19-18-14)16-12-5-7-13(20)8-6-12/h3-13H,1-2H3,(H2,25,27,28)(H2,26,29,30,31);3-12H,1-2H3,(H2,24,27,28)(H2,26,29,30,31);2-12H,1H3,(H4,24,25,27,28)(H2,26,29,30,31);3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27);3-10H,1-2H3,(H2,17,18,19,20);2*2-9,20H,1H3,(H2,16,17,18,19)
• InChIKey: JDJMGSUTHOANAM-UHFFFAOYSA-N
• XLogP: 29.71
• TPSA: 698.69 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 45
• Rotatable Bonds: 33
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2571.04
LogP ≤ 5	29.71
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)?

The IUPAC name of N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol) (CID 158883950) is N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol).

What is the SMILES notation for N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)?

The canonical SMILES for N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol) is COc1ccc(Nc2n[nH]c(-c3cccc(C)c3)n2)cc1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c3ccccc23)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c3ccncc23)n1.CSc1nc(N)cc(Sc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.Cc1cccc(-c2nc(Nc3ccc(O)cc3)n[nH]2)c1.Cc1cccc(-c2nc(Nc3ccc(O)cc3)n[nH]2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(N)n4)c4ccccc34)n2)c1.

What is the InChIKey of N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)?

The InChIKey is JDJMGSUTHOANAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7OS.C23H20N8OS.C23H20N8O.C20H19N7S2.C16H16N4O.2C15H14N4O/c1-14-6-5-7-15(12-14)26-23-29-22(30-31-23)18-10-11-19(17-9-4-3-8-16(17)18)32-21-13-20(25)27-24(28-21)33-2;1-13-4-3-5-14(10-13)26-22-29-21(30-31-22)16-6-7-18(17-12-25-9-8-15(16)17)32-20-11-19(24)27-23(28-20)33-2;1-13-5-4-6-14(11-13)26-23-29-21(30-31-23)17-9-10-18(16-8-3-2-7-15(16)17)32-20-12-19(24)27-22(25)28-20;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;1-11-4-3-5-12(10-11)15-18-16(20-19-15)17-13-6-8-14(21-2)9-7-13;2*1-10-3-2-4-11(9-10)14-17-15(19-18-14)16-12-5-7-13(20)8-6-12/h3-13H,1-2H3,(H2,25,27,28)(H2,26,29,30,31);3-12H,1-2H3,(H2,24,27,28)(H2,26,29,30,31);2-12H,1H3,(H4,24,25,27,28)(H2,26,29,30,31);3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27);3-10H,1-2H3,(H2,17,18,19,20);2*2-9,20H,1H3,(H2,16,17,18,19).

What are the key properties of N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)?

N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol) has a molecular weight of 2571.04 g/mol, XLogP of 29.71, 33 rotatable bonds, 21 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol) is sourced from PubChem (CID 158883950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).