1H-1,2,3-Triazole-4-carboxylic acid

Name: 1H-1,2,3-Triazole-4-carboxylic acid
Brand: ChemScene
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CAS No. 16681-70-2
Cat. No. CS-W009031
Purity≥97%
MDL No.MFCD00196046

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1H-1,2,3-Triazole-4-carboxylic acid|CS-W009031

Structure of 16681-70-2

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Description

1H-1,2,3-Triazole-4-carboxylic acid features a rigid, electron-deficient triazole core paired with a carboxylic acid group, enabling direct conjugation or metal chelation. This scaffold integrates readily into bioconjugation workflows and serves as a stable isostere for phenylalanine in peptidomimetic design.

Application

1H-1,2,3-Triazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry and synthetic methodology, enabling efficient access to triazolyl-containing scaffolds via standard coupling reactions. Its carboxylic acid functionality facilitates direct amidation, esterification, and derivatization under mild conditions, while the triazole ring provides metabolic stability and hydrogen-bonding capability. The compound exhibits excellent bench stability and ease of purification, making it well-suited for high-throughput synthesis and scale-up applications.

General Information

CAS No. 16681-70-2
Cat. No. CS-W009031
Purity ≥97%
MDL No. MFCD00196046
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₃N₃O₂
Molecular Weight 113.07
Synonym(s) 1,2,3-Triazole-5-carboxylic acid; 3H-1,2,3-Triazole-4-carboxylic acid; 4-Carboxy-1,2,3-triazole; NSC 77700; 5-Carboxy-1,2,3-triazole
SMILES O=C(C1=CN=NN1)O

Computational Chemistry Data

TPSA 78.87
LogP -0.4971
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 1

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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1H-1,2,3-Triazole-4-carboxylic acid

CAS No. 16681-70-2

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