8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C11H17FN4 — CID 83964847

IUPAC8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC1CCCn2nc(C3CCNCC3)nc21
InChIInChI=1S/C11H17FN4/c12-9-2-1-7-16-11(9)14-10(15-16)8-3-5-13-6-4-8/h8-9,13H,1-7H2
InChIKeyXXNPDSQVOIVJOI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.55
Rot. Bonds1

About 8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 83964847) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID83964847
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC1CCCn2nc(C3CCNCC3)nc21
InChIInChI=1S/C11H17FN4/c12-9-2-1-7-16-11(9)14-10(15-16)8-3-5-13-6-4-8/h8-9,13H,1-7H2
InChIKeyXXNPDSQVOIVJOI-UHFFFAOYSA-N
XLogP1.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 83964847) is 8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is FC1CCCn2nc(C3CCNCC3)nc21.
What is the InChIKey of 8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XXNPDSQVOIVJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c12-9-2-1-7-16-11(9)14-10(15-16)8-3-5-13-6-4-8/h8-9,13H,1-7H2.
What are the key properties of 8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 224.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 83964847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).