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

C20H20F3N3O2 — CID 175418463

IUPAC1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole
SMILESCOc1ccc(C(C)Oc2ccc(CCn3cnc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C20H20F3N3O2/c1-14(16-5-9-17(27-2)10-6-16)28-18-7-3-15(4-8-18)11-12-26-13-24-19(25-26)20(21,22)23/h3-10,13-14H,11-12H2,1-2H3
InChIKeyVTYWLUKFJSDFBM-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.69
Rot. Bonds7

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

1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 175418463) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID175418463
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole
SMILESCOc1ccc(C(C)Oc2ccc(CCn3cnc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C20H20F3N3O2/c1-14(16-5-9-17(27-2)10-6-16)28-18-7-3-15(4-8-18)11-12-26-13-24-19(25-26)20(21,22)23/h3-10,13-14H,11-12H2,1-2H3
InChIKeyVTYWLUKFJSDFBM-UHFFFAOYSA-N
XLogP4.69
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-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 1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole (CID 175418463) is 1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole is COc1ccc(C(C)Oc2ccc(CCn3cnc(C(F)(F)F)n3)cc2)cc1.
What is the InChIKey of 1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is VTYWLUKFJSDFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-14(16-5-9-17(27-2)10-6-16)28-18-7-3-15(4-8-18)11-12-26-13-24-19(25-26)20(21,22)23/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole?
1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 391.39 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 175418463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).