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

C12H14ClN3O — CID 117136192

IUPAC8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccn2nc(CC3CCOCC3)nc12
InChIInChI=1S/C12H14ClN3O/c13-10-2-1-5-16-12(10)14-11(15-16)8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8H2
InChIKeyRYQSZBSZGPHZOB-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.35
Rot. Bonds2

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

8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117136192) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117136192
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccn2nc(CC3CCOCC3)nc12
InChIInChI=1S/C12H14ClN3O/c13-10-2-1-5-16-12(10)14-11(15-16)8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8H2
InChIKeyRYQSZBSZGPHZOB-UHFFFAOYSA-N
XLogP2.35
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117136187
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117257999
8-chloro-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136059
2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136208
8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258003
8-chloro-2-iodo-[1,2,4]triazolo[1,5-a]pyridine
CID 142607838
8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136147
8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258014
8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136097
2-[(1-ethylpiperidin-4-yl)methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117136154
8-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136836

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117136192) is 8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is Clc1cccn2nc(CC3CCOCC3)nc12.
What is the InChIKey of 8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RYQSZBSZGPHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-10-2-1-5-16-12(10)14-11(15-16)8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 251.72 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117136192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).