8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

C11H14ClN5 — CID 117258003

IUPAC8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccn2nc(CN3CCNCC3)nc12
InChIInChI=1S/C11H14ClN5/c12-9-2-1-5-17-11(9)14-10(15-17)8-16-6-3-13-4-7-16/h1-2,5,13H,3-4,6-8H2
InChIKeyLMLDINYKVPXGSC-UHFFFAOYSA-N
MW251.72 g/mol
LogP0.79
Rot. Bonds2

About 8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117258003) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117258003
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccn2nc(CN3CCNCC3)nc12
InChIInChI=1S/C11H14ClN5/c12-9-2-1-5-17-11(9)14-10(15-17)8-16-6-3-13-4-7-16/h1-2,5,13H,3-4,6-8H2
InChIKeyLMLDINYKVPXGSC-UHFFFAOYSA-N
XLogP0.79
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117257999
8-chloro-2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 82529387
8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255609
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989716
2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117257850
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136192
5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 80641181
8-methyl-2-(1-piperazin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989880
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
4-(piperazin-1-ylmethyl)triazolo[1,5-a]pyridine
CID 83887716

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117258003) is 8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is Clc1cccn2nc(CN3CCNCC3)nc12.
What is the InChIKey of 8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LMLDINYKVPXGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c12-9-2-1-5-17-11(9)14-10(15-17)8-16-6-3-13-4-7-16/h1-2,5,13H,3-4,6-8H2.
What are the key properties of 8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 251.72 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117258003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).