3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine

C₁₄H₂₀N₄O — CID 117140421

About 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine

3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117140421) has the molecular formula C₁₄H₂₀N₄O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 117140421
• Molecular Formula: C₁₄H₂₀N₄O
• Molecular Weight: 260.34 g/mol
• Exact Mass: 260.16
• IUPAC Name: 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: CCN1CCC(c2nnc3cccc(OC)n23)CC1
• InChI: InChI=1S/C14H20N4O/c1-3-17-9-7-11(8-10-17)14-16-15-12-5-4-6-13(19-2)18(12)14/h4-6,11H,3,7-10H2,1-2H3
• InChIKey: GJUYDYCNBDKTBG-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 42.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.34
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine (CID 117140421) is 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine is CCN1CCC(c2nnc3cccc(OC)n23)CC1.

What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is GJUYDYCNBDKTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-17-9-7-11(8-10-17)14-16-15-12-5-4-6-13(19-2)18(12)14/h4-6,11H,3,7-10H2,1-2H3.

What are the key properties of 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?

3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 260.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117140421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117140421 — identifiers, structure, computed properties (public domain)

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