3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C13H15F3N4O — CID 63870898

IUPAC3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc2nnc(COC3CCNCC3)n2c1
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)9-1-2-11-18-19-12(20(11)7-9)8-21-10-3-5-17-6-4-10/h1-2,7,10,17H,3-6,8H2
InChIKeyORQHMAGGMYXJML-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.02
Rot. Bonds3

About 3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 63870898) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID63870898
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc2nnc(COC3CCNCC3)n2c1
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)9-1-2-11-18-19-12(20(11)7-9)8-21-10-3-5-17-6-4-10/h1-2,7,10,17H,3-6,8H2
InChIKeyORQHMAGGMYXJML-UHFFFAOYSA-N
XLogP2.02
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 63870898) is 3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc2nnc(COC3CCNCC3)n2c1.
What is the InChIKey of 3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ORQHMAGGMYXJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c14-13(15,16)9-1-2-11-18-19-12(20(11)7-9)8-21-10-3-5-17-6-4-10/h1-2,7,10,17H,3-6,8H2.
What are the key properties of 3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 300.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-yloxymethyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 63870898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).