4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole

C21H17N3O2 — CID 11493912

IUPAC4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole
SMILESCOc1ccc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc1
InChIInChI=1S/C21H17N3O2/c1-25-18-11-7-16(8-12-18)21-15-24(23-22-21)17-9-13-20(14-10-17)26-19-5-3-2-4-6-19/h2-15H,1H3
InChIKeyRSUPDQHFRKYORN-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.74
Rot. Bonds5

About 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole

4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole (PubChem CID 11493912) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole
PubChem CID11493912
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole
SMILESCOc1ccc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc1
InChIInChI=1S/C21H17N3O2/c1-25-18-11-7-16(8-12-18)21-15-24(23-22-21)17-9-13-20(14-10-17)26-19-5-3-2-4-6-19/h2-15H,1H3
InChIKeyRSUPDQHFRKYORN-UHFFFAOYSA-N
XLogP4.74
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
5-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585270
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585261
3-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-4-methoxybenzenecarboximidamide
CID 44627437
2-[2-[2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 16736229
2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol
CID 16736230
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N-methylaniline
CID 16736234
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736235
3-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
CID 16736236
4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736237
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
3-(1-(4-(2-([1,1'-biphenyl]-2-yloxy)ethyl)benzyl)-1H-1,2,3-triazol-4-yl)pyridine
CID 86305277

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole (CID 11493912) is 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole is COc1ccc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole?
The InChIKey is RSUPDQHFRKYORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-25-18-11-7-16(8-12-18)21-15-24(23-22-21)17-9-13-20(14-10-17)26-19-5-3-2-4-6-19/h2-15H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole?
4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole has a molecular weight of 343.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)triazole is sourced from PubChem (CID 11493912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).