3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine

C8H11F3N4 — CID 82569174

IUPAC3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESFC(F)(F)c1n[nH]c(C2CCCNC2)n1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)7-13-6(14-15-7)5-2-1-3-12-4-5/h5,12H,1-4H2,(H,13,14,15)
InChIKeyIREREIPUMCECSQ-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.29
Rot. Bonds1

About 3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine

3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine (PubChem CID 82569174) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine
PubChem CID82569174
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESFC(F)(F)c1n[nH]c(C2CCCNC2)n1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)7-13-6(14-15-7)5-2-1-3-12-4-5/h5,12H,1-4H2,(H,13,14,15)
InChIKeyIREREIPUMCECSQ-UHFFFAOYSA-N
XLogP1.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine?
The IUPAC name of 3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine (CID 82569174) is 3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine.
What is the SMILES notation for 3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine?
The canonical SMILES for 3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine is FC(F)(F)c1n[nH]c(C2CCCNC2)n1.
What is the InChIKey of 3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine?
The InChIKey is IREREIPUMCECSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)7-13-6(14-15-7)5-2-1-3-12-4-5/h5,12H,1-4H2,(H,13,14,15).
What are the key properties of 3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine?
3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine has a molecular weight of 220.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine is sourced from PubChem (CID 82569174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).