7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C14H12ClN3O — CID 117257259

IUPAC7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccccc1OCc1nnc2cc(Cl)ccn12
InChIInChI=1S/C14H12ClN3O/c1-10-4-2-3-5-12(10)19-9-14-17-16-13-8-11(15)6-7-18(13)14/h2-8H,9H2,1H3
InChIKeyKSOSLLZQFMEUQN-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.27
Rot. Bonds3

About 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine

7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117257259) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117257259
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccccc1OCc1nnc2cc(Cl)ccn12
InChIInChI=1S/C14H12ClN3O/c1-10-4-2-3-5-12(10)19-9-14-17-16-13-8-11(15)6-7-18(13)14/h2-8H,9H2,1H3
InChIKeyKSOSLLZQFMEUQN-UHFFFAOYSA-N
XLogP3.27
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-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

3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117256976
7-chloro-3-[(2-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256505
7-chloro-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257284
2-[(7-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]phenol
CID 117257264
7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117144572
3-[(3-chlorophenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole
CID 1306306
6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080095
7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 84611753
6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46309283
5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46308742
3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257007
3-[(4-chlorophenoxy)methyl]-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100951441

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117257259) is 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccccc1OCc1nnc2cc(Cl)ccn12.
What is the InChIKey of 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KSOSLLZQFMEUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-10-4-2-3-5-12(10)19-9-14-17-16-13-8-11(15)6-7-18(13)14/h2-8H,9H2,1H3.
What are the key properties of 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 273.72 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117257259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).