5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C14H12ClN3 — CID 117132829

IUPAC5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(Cc2nc3cccc(Cl)n3n2)cc1
InChIInChI=1S/C14H12ClN3/c1-10-5-7-11(8-6-10)9-13-16-14-4-2-3-12(15)18(14)17-13/h2-8H,9H2,1H3
InChIKeyMREDAYRZOQTNEO-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.28
Rot. Bonds2

About 5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117132829) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117132829
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(Cc2nc3cccc(Cl)n3n2)cc1
InChIInChI=1S/C14H12ClN3/c1-10-5-7-11(8-6-10)9-13-16-14-4-2-3-12(15)18(14)17-13/h2-8H,9H2,1H3
InChIKeyMREDAYRZOQTNEO-UHFFFAOYSA-N
XLogP3.28
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966917
5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132736
7-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117135194
2-(5-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanol
CID 117131064
5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132592
4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
CID 117132869
5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117257566
2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117132609
[2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132793
2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566913
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132084
6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130343

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117132829) is 5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(Cc2nc3cccc(Cl)n3n2)cc1.
What is the InChIKey of 5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MREDAYRZOQTNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-5-7-11(8-6-10)9-13-16-14-4-2-3-12(15)18(14)17-13/h2-8H,9H2,1H3.
What are the key properties of 5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 257.72 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117132829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).