Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate

Name: Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate
Brand: ChemScene
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CAS No. 3641-14-3
Cat. No. CS-W011023
Purity≥98%
MDL No.MFCD00297193

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Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate|CS-W011023

Structure of 3641-14-3

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General Information

CAS No. 3641-14-3
Cat. No. CS-W011023
Purity ≥98%
MDL No. MFCD00297193
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₆N₄O₂
Molecular Weight 142.12
Synonym(s) Methyl 5-amino-4H-1,2,4-triazole-3-carboxylate
SMILES O=C(C1=NNC(N)=N1)OC

Description

Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate features a polar triazole core with a pendant amino group and ester functionality, enabling integration into diverse heterocyclic scaffolds. The molecule exhibits enhanced solubility and stability under standard conditions, facilitating use in medicinal chemistry campaigns targeting kinase inhibitors and antiviral agents.

Application

Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to triazolyl-containing scaffolds prevalent in medicinal chemistry. The amino and ester functionalities offer orthogonal reactivity—facilitating amidation, acylation, and coupling reactions—while the molecule exhibits bench stability and ease of purification. Its compatibility with standard synthetic protocols makes it a practical choice for constructing bioactive triazole frameworks.

Synthesis

Route1
- 67-56-1
- In-stock
  
  3641-13-2
- ~%
- In-stock
  
  3641-14-3
References
- Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 10 p. 1379 - 1382

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H317
Precautionary Statements : P261-P272-P280-P302+P352-P363-P501

Quality Control

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Computational Chemistry Data

TPSA 93.89
LogP -0.8265
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate

CAS No. 3641-14-3

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