5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole

C19H20F3N5O — CID 11417923

IUPAC5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole
SMILESFC(F)(F)c1cccc(N2CCN(CCOc3ccc4n[nH]nc4c3)CC2)c1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)14-2-1-3-15(12-14)27-8-6-26(7-9-27)10-11-28-16-4-5-17-18(13-16)24-25-23-17/h1-5,12-13H,6-11H2,(H,23,24,25)
InChIKeyPYXZYTIHZLUFQM-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.18
Rot. Bonds5

About 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole

5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole (PubChem CID 11417923) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole.

Molecular Properties

Compound Name5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole
PubChem CID11417923
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole
SMILESFC(F)(F)c1cccc(N2CCN(CCOc3ccc4n[nH]nc4c3)CC2)c1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)14-2-1-3-15(12-14)27-8-6-26(7-9-27)10-11-28-16-4-5-17-18(13-16)24-25-23-17/h1-5,12-13H,6-11H2,(H,23,24,25)
InChIKeyPYXZYTIHZLUFQM-UHFFFAOYSA-N
XLogP3.18
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole?
The IUPAC name of 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole (CID 11417923) is 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole.
What is the SMILES notation for 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole?
The canonical SMILES for 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole is FC(F)(F)c1cccc(N2CCN(CCOc3ccc4n[nH]nc4c3)CC2)c1.
What is the InChIKey of 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole?
The InChIKey is PYXZYTIHZLUFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)14-2-1-3-15(12-14)27-8-6-26(7-9-27)10-11-28-16-4-5-17-18(13-16)24-25-23-17/h1-5,12-13H,6-11H2,(H,23,24,25).
What are the key properties of 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole?
5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole has a molecular weight of 391.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole is sourced from PubChem (CID 11417923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).