5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

C16H12F3N3O — CID 759923

IUPAC5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCOc1ccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H12F3N3O/c1-23-14-7-5-11(6-8-14)15-20-10-21-22(15)13-4-2-3-12(9-13)16(17,18)19/h2-10H,1H3
InChIKeyICRXZISMPLSEBO-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.96
Rot. Bonds3

About 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 759923) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID759923
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCOc1ccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H12F3N3O/c1-23-14-7-5-11(6-8-14)15-20-10-21-22(15)13-4-2-3-12(9-13)16(17,18)19/h2-10H,1H3
InChIKeyICRXZISMPLSEBO-UHFFFAOYSA-N
XLogP3.96
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 759923) is 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is COc1ccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is ICRXZISMPLSEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-23-14-7-5-11(6-8-14)15-20-10-21-22(15)13-4-2-3-12(9-13)16(17,18)19/h2-10H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 319.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 759923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).