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

C10H13ClN4 — CID 56763477

IUPAC3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCl.c1ccn2c(C3CCCN3)nnc2c1
InChIInChI=1S/C10H12N4.ClH/c1-2-7-14-9(5-1)12-13-10(14)8-4-3-6-11-8;/h1-2,5,7-8,11H,3-4,6H2;1H
InChIKeySIQOJYYLMUGJDB-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.58
Rot. Bonds1

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

3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (PubChem CID 56763477) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
PubChem CID56763477
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCl.c1ccn2c(C3CCCN3)nnc2c1
InChIInChI=1S/C10H12N4.ClH/c1-2-7-14-9(5-1)12-13-10(14)8-4-3-6-11-8;/h1-2,5,7-8,11H,3-4,6H2;1H
InChIKeySIQOJYYLMUGJDB-UHFFFAOYSA-N
XLogP1.58
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The IUPAC name of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (CID 56763477) is 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.
What is the SMILES notation for 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The canonical SMILES for 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is Cl.c1ccn2c(C3CCCN3)nnc2c1.
What is the InChIKey of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The InChIKey is SIQOJYYLMUGJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.ClH/c1-2-7-14-9(5-1)12-13-10(14)8-4-3-6-11-8;/h1-2,5,7-8,11H,3-4,6H2;1H.
What are the key properties of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is sourced from PubChem (CID 56763477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).