3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C14H24N4 — CID 81252145

IUPAC3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCC1(c2nnc3n2CCC(C)C3)CCNCC1
InChIInChI=1S/C14H24N4/c1-3-14(5-7-15-8-6-14)13-17-16-12-10-11(2)4-9-18(12)13/h11,15H,3-10H2,1-2H3
InChIKeyOIWREUYTUNQZKJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.89
Rot. Bonds2

About 3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 81252145) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID81252145
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCC1(c2nnc3n2CCC(C)C3)CCNCC1
InChIInChI=1S/C14H24N4/c1-3-14(5-7-15-8-6-14)13-17-16-12-10-11(2)4-9-18(12)13/h11,15H,3-10H2,1-2H3
InChIKeyOIWREUYTUNQZKJ-UHFFFAOYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 81252145) is 3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CCC1(c2nnc3n2CCC(C)C3)CCNCC1.
What is the InChIKey of 3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OIWREUYTUNQZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-14(5-7-15-8-6-14)13-17-16-12-10-11(2)4-9-18(12)13/h11,15H,3-10H2,1-2H3.
What are the key properties of 3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 248.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 81252145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).