5-chloro-[1,2,4]triazolo[1,5-a]pyridine

C6H4ClN3 — CID 84649884

IUPAC5-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc2ncnn12
InChIInChI=1S/C6H4ClN3/c7-5-2-1-3-6-8-4-9-10(5)6/h1-4H
InChIKeyVTRUSOWTYJYYIJ-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.38
Rot. Bonds

About 5-chloro-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 84649884) has the molecular formula C6H4ClN3 and a molecular weight of 153.57 g/mol. Its IUPAC name is 5-chloro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID84649884
Molecular FormulaC6H4ClN3
Molecular Weight153.57 g/mol
Exact Mass153.01
IUPAC Name5-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc2ncnn12
InChIInChI=1S/C6H4ClN3/c7-5-2-1-3-6-8-4-9-10(5)6/h1-4H
InChIKeyVTRUSOWTYJYYIJ-UHFFFAOYSA-N
XLogP1.38
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-[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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-[1,2,4]triazolo[1,5-a]pyridine (CID 84649884) is 5-chloro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-[1,2,4]triazolo[1,5-a]pyridine is Clc1cccc2ncnn12.
What is the InChIKey of 5-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VTRUSOWTYJYYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3/c7-5-2-1-3-6-8-4-9-10(5)6/h1-4H.
What are the key properties of 5-chloro-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 153.57 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 84649884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).