3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

C11H15ClN4 — CID 54592566

IUPAC3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCl.c1ccn2c(C3CCCNC3)nnc2c1
InChIInChI=1S/C11H14N4.ClH/c1-2-7-15-10(5-1)13-14-11(15)9-4-3-6-12-8-9;/h1-2,5,7,9,12H,3-4,6,8H2;1H
InChIKeyJHFVADPASHYPNO-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.62
Rot. Bonds1

About 3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (PubChem CID 54592566) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
PubChem CID54592566
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCl.c1ccn2c(C3CCCNC3)nnc2c1
InChIInChI=1S/C11H14N4.ClH/c1-2-7-15-10(5-1)13-14-11(15)9-4-3-6-12-8-9;/h1-2,5,7,9,12H,3-4,6,8H2;1H
InChIKeyJHFVADPASHYPNO-UHFFFAOYSA-N
XLogP1.62
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (CID 54592566) is 3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is Cl.c1ccn2c(C3CCCNC3)nnc2c1.
What is the InChIKey of 3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The InChIKey is JHFVADPASHYPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.ClH/c1-2-7-15-10(5-1)13-14-11(15)9-4-3-6-12-8-9;/h1-2,5,7,9,12H,3-4,6,8H2;1H.
What are the key properties of 3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is sourced from PubChem (CID 54592566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).