5-Methyl-4H-1,2,4-triazol-3-amine

Name: 5-Methyl-4H-1,2,4-triazol-3-amine
Brand: ChemScene
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CAS No. 4923-01-7
Cat. No. CS-W019573
Purity≥98%
MDL No.MFCD01114775

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5-Methyl-4H-1,2,4-triazol-3-amine|CS-W019573

Structure of 4923-01-7

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General Information

CAS No. 4923-01-7
Cat. No. CS-W019573
Purity ≥98%
MDL No. MFCD01114775
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₆N₄
Molecular Weight None
Synonym(s) 3-Amino-5-Methyl-4H-1,2,4-Triazole
SMILES NC1=NN=C(C)N1

Description

5-Methyl-4H-1,2,4-triazol-3-amine features a methyl-substituted triazole core with a primary amine at the 3-position, offering enhanced solubility and reactivity in synthetic transformations. This bench-stable heterocycle serves as a key scaffold in medicinal chemistry and ligand design, integrating readily into functionalized molecules under mild conditions.

Application

5-Methyl-4H-1,2,4-triazol-3-amine serves as a versatile building block in medicinal chemistry, enabling the synthesis of triazole-based heterocycles with well-documented biological activity. Its primary amine functionality facilitates straightforward derivatization, while the methyl group enhances metabolic stability and modulates electronic properties. The compound exhibits excellent bench stability and compatibility with standard coupling protocols, making it ideal for parallel synthesis campaigns and API development.

Synthesis

Route1
- 2582-30-1
- 64-19-7
- ~96%
- In-stock
  
  4923-01-7
References
- Boechat, Nubia; Pinheiro, Luiz C.S.; Santos-Filho, Osvaldo A.; Silva, Isabor C. Molecules, 2011 , vol. 16, # 9 p. 8083 - 8097
Route2
- In-stock
  
  1558-82-3
- ~%
- In-stock
  
  4923-01-7
References
- Journal of Medicinal Chemistry, , vol. 39, # 15 p. 3019 - 3029
Route3
- 108039-93-6
- ~%
- In-stock
  
  4923-01-7
References
- Journal of Organic Chemistry, , vol. 18, p. 196,200

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

TPSA 67.59
LogP -0.30468
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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5-Methyl-4H-1,2,4-triazol-3-amine

CAS No. 4923-01-7

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