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

C14H20N4 — CID 117141643

IUPAC3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCCCC1c1nnc2cccc(C)n12
InChIInChI=1S/C14H20N4/c1-3-17-10-5-4-8-12(17)14-16-15-13-9-6-7-11(2)18(13)14/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeySJHJLSDDUPQYGG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.58
Rot. Bonds2

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

3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117141643) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117141643
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCCCC1c1nnc2cccc(C)n12
InChIInChI=1S/C14H20N4/c1-3-17-10-5-4-8-12(17)14-16-15-13-9-6-7-11(2)18(13)14/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeySJHJLSDDUPQYGG-UHFFFAOYSA-N
XLogP2.58
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 117141643) is 3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine is CCN1CCCCC1c1nnc2cccc(C)n12.
What is the InChIKey of 3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SJHJLSDDUPQYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-17-10-5-4-8-12(17)14-16-15-13-9-6-7-11(2)18(13)14/h6-7,9,12H,3-5,8,10H2,1-2H3.
What are the key properties of 3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 244.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117141643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).