[1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C14H15F3N4O2 — CID 71982384

IUPAC[1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESO=C(OC1CCN(CC(F)(F)F)CC1)c1ccc2nncn2c1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)8-20-5-3-11(4-6-20)23-13(22)10-1-2-12-19-18-9-21(12)7-10/h1-2,7,9,11H,3-6,8H2
InChIKeyUEKPYHGTWJJKES-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.91
Rot. Bonds3

About [1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

[1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 71982384) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID71982384
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESO=C(OC1CCN(CC(F)(F)F)CC1)c1ccc2nncn2c1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)8-20-5-3-11(4-6-20)23-13(22)10-1-2-12-19-18-9-21(12)7-10/h1-2,7,9,11H,3-6,8H2
InChIKeyUEKPYHGTWJJKES-UHFFFAOYSA-N
XLogP1.91
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 71982384) is [1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is O=C(OC1CCN(CC(F)(F)F)CC1)c1ccc2nncn2c1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is UEKPYHGTWJJKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c15-14(16,17)8-20-5-3-11(4-6-20)23-13(22)10-1-2-12-19-18-9-21(12)7-10/h1-2,7,9,11H,3-6,8H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
[1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 328.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)piperidin-4-yl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 71982384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).