4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole

C22H19N3O — CID 798454

IUPAC4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole
SMILESCCOc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-2-26-20-15-13-19(14-16-20)25-21(17-9-5-3-6-10-17)23-24-22(25)18-11-7-4-8-12-18/h3-16H,2H2,1H3
InChIKeyCICAOVOSYCHEBU-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.00
Rot. Bonds5

About 4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole

4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole (PubChem CID 798454) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole
PubChem CID798454
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole
SMILESCCOc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-2-26-20-15-13-19(14-16-20)25-21(17-9-5-3-6-10-17)23-24-22(25)18-11-7-4-8-12-18/h3-16H,2H2,1H3
InChIKeyCICAOVOSYCHEBU-UHFFFAOYSA-N
XLogP5.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

PS-13 C-11
CID 138320044
Asp-6537
CID 9922739
2-{3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
CID 135437607
3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole
CID 1162727
3-(5-methyl-4-(4-(3-(piperidin-1-yl)propoxy)phenyl)-4H-1,2,4-triazol-3-yl)pyridine
CID 71712245
1-[3-[4-(3,5-Dimethyl-1,2,4-triazol-4-yl)phenoxy]propyl]piperidine
CID 90654501
1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473372
4-(4-Ethoxyphenyl)-3-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
CID 1424828
1-(4-methoxyphenyl)-5-phenyl-1H-tetrazole
CID 759777
3-Methyl-5-[2-(2-methylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole
CID 2951933
4H-1,2,4-Triazole, 3-[1,1'-biphenyl]-4-yl-4-(2-methoxyphenyl)-5-methyl-
CID 5034737
3-[4-[5-butyl-1-[4-(4-methylphenyl)phenyl]-1,2,4-triazol-3-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 166626055

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole (CID 798454) is 4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole is CCOc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole?
The InChIKey is CICAOVOSYCHEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-2-26-20-15-13-19(14-16-20)25-21(17-9-5-3-6-10-17)23-24-22(25)18-11-7-4-8-12-18/h3-16H,2H2,1H3.
What are the key properties of 4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole?
4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole has a molecular weight of 341.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 798454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).