3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine

C117H106N16O8 — CID 157172955

IUPAC3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine
SMILESCC(C)Oc1ccc(-c2nnc(-c3ccc(OC(C)C)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1.CCCOc1ccc(-c2nnc(-c3ccc(OCC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1.CCOc1ccc(-c2nnc(-c3ccc(OCC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1.COc1ccc(-c2nnc(-c3ccc(OC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C31H30N4O2.C30H28N4O2.C29H26N4O2.C27H22N4O2/c1-21(2)36-28-15-9-24(10-16-28)30-33-34-31(25-11-17-29(18-12-25)37-22(3)4)35(30)27-13-7-23(8-14-27)26-6-5-19-32-20-26;1-3-20-36-28-17-11-24(12-18-28)30-33-32-29(23-9-15-27(16-10-23)35-4-2)34(30)26-13-7-22(8-14-26)25-6-5-19-31-21-25;1-3-34-26-15-9-22(10-16-26)28-31-32-29(23-11-17-27(18-12-23)35-4-2)33(28)25-13-7-21(8-14-25)24-6-5-19-30-20-24;1-32-24-13-7-20(8-14-24)26-29-30-27(21-9-15-25(33-2)16-10-21)31(26)23-11-5-19(6-12-23)22-4-3-17-28-18-22/h5-22H,1-4H3;5-19,21H,3-4,20H2,1-2H3;5-20H,3-4H2,1-2H3;3-18H,1-2H3
InChIKeyANRJZSXJELJZGF-UHFFFAOYSA-N
MW1864.24 g/mol
LogP26.23
Rot. Bonds31

About 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine

3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine (PubChem CID 157172955) has the molecular formula C117H106N16O8 and a molecular weight of 1864.24 g/mol. Its IUPAC name is 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine
PubChem CID157172955
Molecular FormulaC117H106N16O8
Molecular Weight1864.24 g/mol
Exact Mass1862.84
IUPAC Name3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine
SMILESCC(C)Oc1ccc(-c2nnc(-c3ccc(OC(C)C)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1.CCCOc1ccc(-c2nnc(-c3ccc(OCC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1.CCOc1ccc(-c2nnc(-c3ccc(OCC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1.COc1ccc(-c2nnc(-c3ccc(OC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C31H30N4O2.C30H28N4O2.C29H26N4O2.C27H22N4O2/c1-21(2)36-28-15-9-24(10-16-28)30-33-34-31(25-11-17-29(18-12-25)37-22(3)4)35(30)27-13-7-23(8-14-27)26-6-5-19-32-20-26;1-3-20-36-28-17-11-24(12-18-28)30-33-32-29(23-9-15-27(16-10-23)35-4-2)34(30)26-13-7-22(8-14-26)25-6-5-19-31-21-25;1-3-34-26-15-9-22(10-16-26)28-31-32-29(23-11-17-27(18-12-23)35-4-2)33(28)25-13-7-21(8-14-25)24-6-5-19-30-20-24;1-32-24-13-7-20(8-14-24)26-29-30-27(21-9-15-25(33-2)16-10-21)31(26)23-11-5-19(6-12-23)22-4-3-17-28-18-22/h5-22H,1-4H3;5-19,21H,3-4,20H2,1-2H3;5-20H,3-4H2,1-2H3;3-18H,1-2H3
InChIKeyANRJZSXJELJZGF-UHFFFAOYSA-N
XLogP26.23
TPSA248.24 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001864.24
LogP ≤ 526.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine with MolForge

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Related Compounds

3-(4-Imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
CID 44530455
6-[4-(1,1-Difluoroethoxy)phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 157310484
6-[4-(1,1-Difluoroethoxy)-3-fluorophenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)-2-methylphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 158907041
Tris(7-[1-(2,4-difluorophenoxy)ethyl]-3-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine);3-(ethoxymethyl)-8-(trifluoromethyl)-7-[1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 159096332
Tris(7-[1-(2,4-difluorophenoxy)ethyl]-3-(ethoxymethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine);3-(ethoxymethyl)-8-(trifluoromethyl)-7-[1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 160320634
6-[4-(1,1-Difluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 160539215
3-(1,1-Difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 161124045
Tris(7-[1-(2,4-difluorophenoxy)ethyl]-3-(ethoxymethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine);3-(ethoxymethyl)-8-(trifluoromethyl)-7-[1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 161289430
Tris(7-[1-(2,4-difluorophenoxy)ethyl]-3-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine);3-(ethoxymethyl)-8-(trifluoromethyl)-7-[1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 161504191
3-Cyclopropyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(oxolan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 162029460
3-[Difluoro(methoxy)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-ethyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(2-phenylmethoxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 163496212
2-[5-[2-[4-(1,1-Difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol
CID 163690079

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine (CID 157172955) is 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine is CC(C)Oc1ccc(-c2nnc(-c3ccc(OC(C)C)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1.CCCOc1ccc(-c2nnc(-c3ccc(OCC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1.CCOc1ccc(-c2nnc(-c3ccc(OCC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1.COc1ccc(-c2nnc(-c3ccc(OC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1.
What is the InChIKey of 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine?
The InChIKey is ANRJZSXJELJZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2.C30H28N4O2.C29H26N4O2.C27H22N4O2/c1-21(2)36-28-15-9-24(10-16-28)30-33-34-31(25-11-17-29(18-12-25)37-22(3)4)35(30)27-13-7-23(8-14-27)26-6-5-19-32-20-26;1-3-20-36-28-17-11-24(12-18-28)30-33-32-29(23-9-15-27(16-10-23)35-4-2)34(30)26-13-7-22(8-14-26)25-6-5-19-31-21-25;1-3-34-26-15-9-22(10-16-26)28-31-32-29(23-11-17-27(18-12-23)35-4-2)33(28)25-13-7-21(8-14-25)24-6-5-19-30-20-24;1-32-24-13-7-20(8-14-24)26-29-30-27(21-9-15-25(33-2)16-10-21)31(26)23-11-5-19(6-12-23)22-4-3-17-28-18-22/h5-22H,1-4H3;5-19,21H,3-4,20H2,1-2H3;5-20H,3-4H2,1-2H3;3-18H,1-2H3.
What are the key properties of 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine?
3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine has a molecular weight of 1864.24 g/mol, XLogP of 26.23, 31 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,5-bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine is sourced from PubChem (CID 157172955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).