1-Benzyl-1H-1,2,4-triazole

Name: 1-Benzyl-1H-1,2,4-triazole
Brand: ChemScene
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CAS No. 6085-94-5
Cat. No. CS-0432874
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+
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 6085-94-5

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Description

1-Benzyl-1H-1,2,4-triazole features a benzyl-substituted triazole core with enhanced solubility and stability under standard conditions. This nitrogen-rich heterocycle integrates readily into medicinal chemistry scaffolds, offering a robust platform for bioactive compound development through its versatile coordination and hydrogen-bonding capabilities.

Application

1-Benzyl-1H-1,2,4-triazole serves as a versatile scaffold in medicinal chemistry and synthetic organic chemistry, functioning as a stable bioisostere for imidazole and pyrrole rings. Its benzyl group enhances lipophilicity and metabolic stability, while the triazole core enables robust metal-catalyzed coupling reactions, including CuAAC applications. The compound exhibits excellent bench stability, ease of purification, and tolerance to diverse functional groups, making it a reliable building block for heterocyclic libraries and drug discovery campaigns.

General Information

CAS No. 6085-94-5
Cat. No. CS-0432874
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉N₃
Molecular Weight 159.19
Synonym(s) 1-Benzyl-1,2,4-triazole
SMILES N1(CC2=CC=CC=C2)N=CN=C1

Computational Chemistry Data

TPSA 30.71
LogP 1.3264
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Safety Information

Download SDS

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

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Benzyl-1H-1,2,4-triazole

CAS No. 6085-94-5

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