6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine

Name: 6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine
Brand: ChemScene
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CAS No. 42399-79-1
Cat. No. CS-0452436
Molecule weight154.56
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine|CS-0452436

Structure of 42399-79-1

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General Information

CAS No. 42399-79-1
Cat. No. CS-0452436
Purity ≥98%
MDL No. None
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₃ClN₄
Molecular Weight 154.56
Synonym(s) 6-Chloro[1,2,4]triazolo[1,5-b]pyridazine
SMILES N12N=C(C=CC1=NC=N2)Cl

Description

6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine is a heterocyclic scaffold featuring a chlorine substituent at the 6-position, enhancing electron-withdrawing character and enabling downstream functionalization. This rigid, planar core integrates readily into bioactive molecules, offering improved metabolic stability and targeted binding affinity in medicinal chemistry applications.

Application

6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. The chloro substituent enables facile nucleophilic substitution reactions, facilitating the installation of diverse side chains under mild conditions. Its rigid, electron-deficient core provides excellent functional group tolerance and bench stability, making it well-suited for modular library construction and scale-up in process chemistry workflows.

Synthesis

Route1
- 35053-55-5
- ~%
- In-stock
  
  42399-79-1
References
- Kuwahara, Masaaki; Kawano, Yasuhiko; Kajino, Masahiro; Ashida, Yasuko; Miyake, Akio Chemical and Pharmaceutical Bulletin, 1997 , vol. 45, # 9 p. 1447 - 1457

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 43.08
LogP 0.7777
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridazine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine

CAS No. 42399-79-1

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