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

C14H12ClN3 — CID 117144572

IUPAC7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(Cc2nnc3cc(Cl)ccn23)cc1
InChIInChI=1S/C14H12ClN3/c1-10-2-4-11(5-3-10)8-13-16-17-14-9-12(15)6-7-18(13)14/h2-7,9H,8H2,1H3
InChIKeyZFUOUGVJIIAHGO-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.28
Rot. Bonds2

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

7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117144572) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117144572
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(Cc2nnc3cc(Cl)ccn23)cc1
InChIInChI=1S/C14H12ClN3/c1-10-2-4-11(5-3-10)8-13-16-17-14-9-12(15)6-7-18(13)14/h2-7,9H,8H2,1H3
InChIKeyZFUOUGVJIIAHGO-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 7-chloro-3-[(4-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117144572) is 7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc(Cc2nnc3cc(Cl)ccn23)cc1.
What is the InChIKey of 7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZFUOUGVJIIAHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-2-4-11(5-3-10)8-13-16-17-14-9-12(15)6-7-18(13)14/h2-7,9H,8H2,1H3.
What are the key properties of 7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-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 7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117144572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).