5-Amino-4H-1,2,4-triazole-3-carboxylic acid

Name: 5-Amino-4H-1,2,4-triazole-3-carboxylic acid
Brand: ChemScene
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CAS No. 3641-13-2
Cat. No. CS-W004714
Purity≥95%
MDL No.MFCD00010620

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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+
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5-Amino-4H-1,2,4-triazole-3-carboxylic acid|CS-W004714

Structure of 3641-13-2

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General Information

CAS No. 3641-13-2
Cat. No. CS-W004714
Purity ≥95%
MDL No. MFCD00010620
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₄N₄O₂
Molecular Weight 128.09
Synonym(s) 5-Amino-1,2,4-triazole-3-carboxylic acid
SMILES O=C(C1=NC(N)=NN1)O

Description

5-Amino-4H-1,2,4-triazole-3-carboxylic acid features a dual functional group architecture: a nucleophilic amino substituent and a carboxylic acid moiety positioned within a planar triazole core. This arrangement enables robust coordination in metal-ligand assemblies and facilitates conjugation in bioactive scaffold design. The molecule exhibits enhanced solubility under physiological conditions and maintains stability during standard synthetic manipulations.

Application

5-Amino-4H-1,2,4-triazole-3-carboxylic acid serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its dual functionality—amino and carboxylic acid groups—enables facile derivatization via amidation, esterification, or coupling reactions. The molecule exhibits good bench stability and solubility, facilitating purification and integration into complex scaffolds. It functions as a key intermediate in the construction of triazole-based pharmacophores and API candidates.

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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Computational Chemistry Data

TPSA 104.89
LogP -0.9149
H_Acceptors 4
H_Donors 3
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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5-Amino-4H-1,2,4-triazole-3-carboxylic acid

CAS No. 3641-13-2

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