5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol

C188H157Cl4F7N48O10S — CID 158014275

IUPAC5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
SMILESCOc1ccc(Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1.CSc1nc(C)cc(Oc2ccc(Nc3n[nH]c(-c4cccc(Cl)c4)n3)cc2)n1.Cc1c(F)ccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1C.Cc1cccc(Cc2nc(-c3ccc(Oc4ccncc4)cc3)n[nH]2)c1C.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(Cl)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(Cl)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(N)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1.Oc1ccc(Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1.Oc1ccc(Nc2n[nH]c(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C22H20N4O.C21H18FN5O.C20H17ClN6OS.2C20H16ClN5O.C20H18N6O.C20H17N5O.C16H13F3N4O.C15H11F3N4O.C14H11ClN4O/c1-15-4-3-5-18(16(15)2)14-21-24-22(26-25-21)17-6-8-19(9-7-17)27-20-10-12-23-13-11-20;1-13-14(2)19(8-7-18(13)22)24-21-25-20(26-27-21)15-3-5-16(6-4-15)28-17-9-11-23-12-10-17;1-12-10-17(24-20(22-12)29-2)28-16-8-6-15(7-9-16)23-19-25-18(26-27-19)13-4-3-5-14(21)11-13;3*1-13-3-2-4-15(11-13)23-20-24-19(25-26-20)14-5-7-16(8-6-14)27-17-9-10-22-18(21)12-17;1-14-3-2-4-16(13-14)22-20-23-19(24-25-20)15-5-7-17(8-6-15)26-18-9-11-21-12-10-18;1-24-13-7-5-12(6-8-13)20-15-21-14(22-23-15)10-3-2-4-11(9-10)16(17,18)19;16-15(17,18)10-3-1-2-9(8-10)13-20-14(22-21-13)19-11-4-6-12(23)7-5-11;15-10-3-1-2-9(8-10)13-17-14(19-18-13)16-11-4-6-12(20)7-5-11/h3-13H,14H2,1-2H3,(H,24,25,26);3-12H,1-2H3,(H2,24,25,26,27);3-11H,1-2H3,(H2,23,25,26,27);2*2-12H,1H3,(H2,23,24,25,26);2-12H,1H3,(H2,21,22)(H2,23,24,25,26);2-13H,1H3,(H2,22,23,24,25);2-9H,1H3,(H2,20,21,22,23);1-8,23H,(H2,19,20,21,22);1-8,20H,(H2,16,17,18,19)
InChIKeyFFGOWAKICIKICU-UHFFFAOYSA-N
MW3555.51 g/mol
LogP47.00
Rot. Bonds46

About 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol

5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol (PubChem CID 158014275) has the molecular formula C188H157Cl4F7N48O10S and a molecular weight of 3555.51 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
PubChem CID158014275
Molecular FormulaC188H157Cl4F7N48O10S
Molecular Weight3555.51 g/mol
Exact Mass3551.16
IUPAC Name5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol
SMILESCOc1ccc(Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1.CSc1nc(C)cc(Oc2ccc(Nc3n[nH]c(-c4cccc(Cl)c4)n3)cc2)n1.Cc1c(F)ccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1C.Cc1cccc(Cc2nc(-c3ccc(Oc4ccncc4)cc3)n[nH]2)c1C.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(Cl)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(Cl)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(N)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1.Oc1ccc(Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1.Oc1ccc(Nc2n[nH]c(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C22H20N4O.C21H18FN5O.C20H17ClN6OS.2C20H16ClN5O.C20H18N6O.C20H17N5O.C16H13F3N4O.C15H11F3N4O.C14H11ClN4O/c1-15-4-3-5-18(16(15)2)14-21-24-22(26-25-21)17-6-8-19(9-7-17)27-20-10-12-23-13-11-20;1-13-14(2)19(8-7-18(13)22)24-21-25-20(26-27-21)15-3-5-16(6-4-15)28-17-9-11-23-12-10-17;1-12-10-17(24-20(22-12)29-2)28-16-8-6-15(7-9-16)23-19-25-18(26-27-19)13-4-3-5-14(21)11-13;3*1-13-3-2-4-15(11-13)23-20-24-19(25-26-20)14-5-7-16(8-6-14)27-17-9-10-22-18(21)12-17;1-14-3-2-4-16(13-14)22-20-23-19(24-25-20)15-5-7-17(8-6-15)26-18-9-11-21-12-10-18;1-24-13-7-5-12(6-8-13)20-15-21-14(22-23-15)10-3-2-4-11(9-10)16(17,18)19;16-15(17,18)10-3-1-2-9(8-10)13-20-14(22-21-13)19-11-4-6-12(23)7-5-11;15-10-3-1-2-9(8-10)13-17-14(19-18-13)16-11-4-6-12(20)7-5-11/h3-13H,14H2,1-2H3,(H,24,25,26);3-12H,1-2H3,(H2,24,25,26,27);3-11H,1-2H3,(H2,23,25,26,27);2*2-12H,1H3,(H2,23,24,25,26);2-12H,1H3,(H2,21,22)(H2,23,24,25,26);2-13H,1H3,(H2,22,23,24,25);2-9H,1H3,(H2,20,21,22,23);1-8,23H,(H2,19,20,21,22);1-8,20H,(H2,16,17,18,19)
InChIKeyFFGOWAKICIKICU-UHFFFAOYSA-N
XLogP47.00
TPSA767.41 Ų
H-Bond Donors22
H-Bond Acceptors49
Rotatable Bonds46
Heavy Atoms258
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003555.51
LogP ≤ 547.00
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
The IUPAC name of 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol (CID 158014275) is 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
The canonical SMILES for 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol is COc1ccc(Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1.CSc1nc(C)cc(Oc2ccc(Nc3n[nH]c(-c4cccc(Cl)c4)n3)cc2)n1.Cc1c(F)ccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1C.Cc1cccc(Cc2nc(-c3ccc(Oc4ccncc4)cc3)n[nH]2)c1C.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(Cl)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(Cl)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(N)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1.Oc1ccc(Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1.Oc1ccc(Nc2n[nH]c(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
The InChIKey is FFGOWAKICIKICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O.C21H18FN5O.C20H17ClN6OS.2C20H16ClN5O.C20H18N6O.C20H17N5O.C16H13F3N4O.C15H11F3N4O.C14H11ClN4O/c1-15-4-3-5-18(16(15)2)14-21-24-22(26-25-21)17-6-8-19(9-7-17)27-20-10-12-23-13-11-20;1-13-14(2)19(8-7-18(13)22)24-21-25-20(26-27-21)15-3-5-16(6-4-15)28-17-9-11-23-12-10-17;1-12-10-17(24-20(22-12)29-2)28-16-8-6-15(7-9-16)23-19-25-18(26-27-19)13-4-3-5-14(21)11-13;3*1-13-3-2-4-15(11-13)23-20-24-19(25-26-20)14-5-7-16(8-6-14)27-17-9-10-22-18(21)12-17;1-14-3-2-4-16(13-14)22-20-23-19(24-25-20)15-5-7-17(8-6-15)26-18-9-11-21-12-10-18;1-24-13-7-5-12(6-8-13)20-15-21-14(22-23-15)10-3-2-4-11(9-10)16(17,18)19;16-15(17,18)10-3-1-2-9(8-10)13-20-14(22-21-13)19-11-4-6-12(23)7-5-11;15-10-3-1-2-9(8-10)13-17-14(19-18-13)16-11-4-6-12(20)7-5-11/h3-13H,14H2,1-2H3,(H,24,25,26);3-12H,1-2H3,(H2,24,25,26,27);3-11H,1-2H3,(H2,23,25,26,27);2*2-12H,1H3,(H2,23,24,25,26);2-12H,1H3,(H2,21,22)(H2,23,24,25,26);2-13H,1H3,(H2,22,23,24,25);2-9H,1H3,(H2,20,21,22,23);1-8,23H,(H2,19,20,21,22);1-8,20H,(H2,16,17,18,19).
What are the key properties of 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol?
5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol has a molecular weight of 3555.51 g/mol, XLogP of 47.00, 46 rotatable bonds, 22 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;bis(5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);4-[4-[5-[(2,3-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenoxy]pyridine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenol is sourced from PubChem (CID 158014275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).