3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine

C13H15FN4 — CID 86687204

IUPAC3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc2nnc(N3C4CCCC3CC4)n2c1
InChIInChI=1S/C13H15FN4/c14-9-4-7-12-15-16-13(17(12)8-9)18-10-2-1-3-11(18)6-5-10/h4,7-8,10-11H,1-3,5-6H2
InChIKeyAHZNJCAUYPGINP-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.39
Rot. Bonds1

About 3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine

3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 86687204) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID86687204
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc2nnc(N3C4CCCC3CC4)n2c1
InChIInChI=1S/C13H15FN4/c14-9-4-7-12-15-16-13(17(12)8-9)18-10-2-1-3-11(18)6-5-10/h4,7-8,10-11H,1-3,5-6H2
InChIKeyAHZNJCAUYPGINP-UHFFFAOYSA-N
XLogP2.39
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine (CID 86687204) is 3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc2nnc(N3C4CCCC3CC4)n2c1.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AHZNJCAUYPGINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-9-4-7-12-15-16-13(17(12)8-9)18-10-2-1-3-11(18)6-5-10/h4,7-8,10-11H,1-3,5-6H2.
What are the key properties of 3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 246.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]octan-8-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 86687204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).