6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C14H12ClN3 — CID 117130343

IUPAC6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(Cc2nc3ccc(Cl)cn3n2)c1
InChIInChI=1S/C14H12ClN3/c1-10-3-2-4-11(7-10)8-13-16-14-6-5-12(15)9-18(14)17-13/h2-7,9H,8H2,1H3
InChIKeyAQUJSUSKSHBTRL-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.28
Rot. Bonds2

About 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117130343) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117130343
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(Cc2nc3ccc(Cl)cn3n2)c1
InChIInChI=1S/C14H12ClN3/c1-10-3-2-4-11(7-10)8-13-16-14-6-5-12(15)9-18(14)17-13/h2-7,9H,8H2,1H3
InChIKeyAQUJSUSKSHBTRL-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

Analyze 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130371
6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130393
5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132592
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
7-methoxy-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134900
6-chloro-2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130502
2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 118482511
2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130289
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylethanamine
CID 117130961
2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130281
7-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117135194
2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117134952

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117130343) is 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc(Cc2nc3ccc(Cl)cn3n2)c1.
What is the InChIKey of 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AQUJSUSKSHBTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-3-2-4-11(7-10)8-13-16-14-6-5-12(15)9-18(14)17-13/h2-7,9H,8H2,1H3.
What are the key properties of 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2-[(3-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 6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117130343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).