3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine

C13H17FN4 — CID 163667849

IUPAC3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC[C@@H]1CCCN(c2nnc3ccc(F)cn23)C1
InChIInChI=1S/C13H17FN4/c1-2-10-4-3-7-17(8-10)13-16-15-12-6-5-11(14)9-18(12)13/h5-6,9-10H,2-4,7-8H2,1H3/t10-/m1/s1
InChIKeyIZZQXCVIRNVYSA-SNVBAGLBSA-N
MW248.30 g/mol
LogP2.49
Rot. Bonds2

About 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine

3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 163667849) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID163667849
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC[C@@H]1CCCN(c2nnc3ccc(F)cn23)C1
InChIInChI=1S/C13H17FN4/c1-2-10-4-3-7-17(8-10)13-16-15-12-6-5-11(14)9-18(12)13/h5-6,9-10H,2-4,7-8H2,1H3/t10-/m1/s1
InChIKeyIZZQXCVIRNVYSA-SNVBAGLBSA-N
XLogP2.49
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine (CID 163667849) is 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine is CC[C@@H]1CCCN(c2nnc3ccc(F)cn23)C1.
What is the InChIKey of 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IZZQXCVIRNVYSA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17FN4/c1-2-10-4-3-7-17(8-10)13-16-15-12-6-5-11(14)9-18(12)13/h5-6,9-10H,2-4,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 248.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-ethylpiperidin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 163667849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).