4-(1H-1,2,4-Triazol-5-yl)pyridine

Name: 4-(1H-1,2,4-Triazol-5-yl)pyridine
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CAS No. 14803-99-7
Cat. No. CS-0436816
Purity≥98%
MDL No.MFCD18260903

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-(1H-1,2,4-Triazol-5-yl)pyridine|CS-0436816

Structure of 14803-99-7

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General Information

CAS No. 14803-99-7
Cat. No. CS-0436816
Purity ≥98%
MDL No. MFCD18260903
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆N₄
Molecular Weight 146.15
Synonym(s) 4-(4H-1,2,4-Triazol-3-yl)pyridine
SMILES C1(C2=NC=NN2)=CC=NC=C1

Description

4-(1H-1,2,4-Triazol-5-yl)pyridine features a conjugated heterocyclic architecture that integrates a pyridine ring with a triazole moiety, enabling strong coordination to transition metals and enhanced solubility in polar solvents. This robust ligand design facilitates efficient complexation in catalytic systems and materials applications.

Application

4-(1H-1,2,4-Triazol-5-yl)pyridine serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient construction of bioactive scaffolds. Its dual aromatic systems confer enhanced stability and favorable solubility, while the triazolyl nitrogen atoms facilitate metal coordination and hydrogen bonding. The compound exhibits excellent functional group tolerance and reactivity in standard coupling protocols, making it well-suited for parallel synthesis campaigns and scale-up applications.

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 54.46
LogP 0.8667
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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4-(1H-1,2,4-Triazol-5-yl)pyridine

CAS No. 14803-99-7

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