1-Isopropyl-1H-1,2,3-triazole

Name: 1-Isopropyl-1H-1,2,3-triazole
Brand: ChemScene
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CAS No. 499132-20-6
Cat. No. CS-0162752
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+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Isopropyl-1H-1,2,3-triazole|CS-0162752

Structure of 499132-20-6

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General Information

CAS No. 499132-20-6
Cat. No. CS-0162752
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₉N₃
Molecular Weight 111.15
Synonym(s) 1-(propan-2-yl)-1H-1,2,3-triazole
SMILES CC(N1N=NC=C1)C

Description

1-Isopropyl-1H-1,2,3-triazole is a bench-stable, moisture-tolerant triazole derivative featuring a sterically hindered isopropyl group at the 1-position. This substitution enhances solubility in organic media while preserving the triazole’s robustness in coupling reactions. The compound serves as a reliable nitrogen-rich scaffold for bioconjugation, medicinal chemistry, and materials synthesis, integrating smoothly into diverse molecular architectures under standard conditions.

Application

1-Isopropyl-1H-1,2,3-triazole serves as a stable, bench-accessible triazole scaffold with enhanced solubility and functional group tolerance. It functions as a versatile building block in click chemistry and medicinal chemistry applications, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC) and serving as a bioisostere for amides and esters. Its isopropyl substituent improves metabolic stability and lipophilicity, enhancing utility in lead optimization workflows.

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 30.71
LogP 0.859
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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1-Isopropyl-1H-1,2,3-triazole

CAS No. 499132-20-6

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