4H-1,2,4-Triazole

Name: 4H-1,2,4-Triazole
Brand: ChemScene
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CAS No. 63598-71-0
Cat. No. CS-0368547
Purity≥96%
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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 63598-71-0

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Description

4H-1,2,4-Triazole is a bench-stable, nitrogen-rich heterocycle featuring three contiguous nitrogen atoms that enable strong hydrogen bonding and coordination to metal ions. This structural motif integrates readily into bioactive molecules, serving as a key pharmacophore in medicinal chemistry and offering enhanced solubility and metabolic stability in drug candidates.

Application

4H-1,2,4-Triazole serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its nitrogen-rich framework enables robust hydrogen bonding and π-stacking interactions, enhancing molecular recognition in drug candidates. The ring functions as a bioisostere for carboxylic acids and amides, offering improved metabolic stability and solubility. It participates reliably in standard coupling reactions and exhibits favorable bench stability, facilitating purification and integration into complex synthetic sequences.

General Information

CAS No. 63598-71-0
Cat. No. CS-0368547
Purity ≥96%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂H₃N₃
Molecular Weight 69.07
Synonym(s) 1H-1,2,4-triazole
SMILES N1=CNC=N1

Computational Chemistry Data

TPSA 41.57
LogP -0.1953
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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4H-1,2,4-Triazole

CAS No. 63598-71-0

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