7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine

C13H10ClN3O — CID 123894811

IUPAC7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(Oc2ccn3ncnc3c2)c(Cl)c1
InChIInChI=1S/C13H10ClN3O/c1-9-2-3-12(11(14)6-9)18-10-4-5-17-13(7-10)15-8-16-17/h2-8H,1H3
InChIKeyQTSNVTTYFZJUNQ-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.48
Rot. Bonds2

About 7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine

7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 123894811) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID123894811
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(Oc2ccn3ncnc3c2)c(Cl)c1
InChIInChI=1S/C13H10ClN3O/c1-9-2-3-12(11(14)6-9)18-10-4-5-17-13(7-10)15-8-16-17/h2-8H,1H3
InChIKeyQTSNVTTYFZJUNQ-UHFFFAOYSA-N
XLogP3.48
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine (CID 123894811) is 7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(Oc2ccn3ncnc3c2)c(Cl)c1.
What is the InChIKey of 7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QTSNVTTYFZJUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-9-2-3-12(11(14)6-9)18-10-4-5-17-13(7-10)15-8-16-17/h2-8H,1H3.
What are the key properties of 7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 259.70 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 123894811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).