4-[1-(trifluoromethyl)triazol-4-yl]pyridine

C8H5F3N4 — CID 171362995

IUPAC4-[1-(trifluoromethyl)triazol-4-yl]pyridine
SMILESFC(F)(F)n1cc(-c2ccncc2)nn1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)15-5-7(13-14-15)6-1-3-12-4-2-6/h1-5H
InChIKeyGLUPPHWMGODRHU-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.82
Rot. Bonds1

About 4-[1-(trifluoromethyl)triazol-4-yl]pyridine

4-[1-(trifluoromethyl)triazol-4-yl]pyridine (PubChem CID 171362995) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 4-[1-(trifluoromethyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-(trifluoromethyl)triazol-4-yl]pyridine
PubChem CID171362995
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name4-[1-(trifluoromethyl)triazol-4-yl]pyridine
SMILESFC(F)(F)n1cc(-c2ccncc2)nn1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)15-5-7(13-14-15)6-1-3-12-4-2-6/h1-5H
InChIKeyGLUPPHWMGODRHU-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(trifluoromethyl)triazol-4-yl]pyridine?
The IUPAC name of 4-[1-(trifluoromethyl)triazol-4-yl]pyridine (CID 171362995) is 4-[1-(trifluoromethyl)triazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-(trifluoromethyl)triazol-4-yl]pyridine?
The canonical SMILES for 4-[1-(trifluoromethyl)triazol-4-yl]pyridine is FC(F)(F)n1cc(-c2ccncc2)nn1.
What is the InChIKey of 4-[1-(trifluoromethyl)triazol-4-yl]pyridine?
The InChIKey is GLUPPHWMGODRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)15-5-7(13-14-15)6-1-3-12-4-2-6/h1-5H.
What are the key properties of 4-[1-(trifluoromethyl)triazol-4-yl]pyridine?
4-[1-(trifluoromethyl)triazol-4-yl]pyridine has a molecular weight of 214.15 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(trifluoromethyl)triazol-4-yl]pyridine is sourced from PubChem (CID 171362995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).