3641-14-3

Basic information

• Product Name: Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate
• Synonyms: methyl 5-amino-1H-1,2,4-triazole-3-carboxylate hydrochloride;1H-1,2,4-triazole-3-carboxylic acid, 5-amino-, methyl este;methyl 5-amino-1H-1,2,4-triazole-3-carboxylate nitrate;3-amino-1H-1,2,4-triazole-5-carboxylic acid methyl ester;methyl 3-azanyl-1H-1,2,4-triazole-5-carboxylate;Methyl 5-aMino-2H-1,2,4-triazole-3-carboxylate;ethyl 5-aMino-1H-1,2,4-triazole-3-carboxylate;Methyl 3-aMino-1,2,4-triazole-5-carboxylate
• CAS NO: 3641-14-3
• Molecular Formula: C₄H₆N₄O₂
• Molecular Weight: 142.12
• EINECS: 222-869-7
• Product Categories: Heterocyclic Building Blocks;Triazoles;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;Building Blocks
• Mol File: 3641-14-3.mol
• Article Data: 6

Chemical Properties

• Melting Point: 218-222 °C(lit.)
• Boiling Point: 379 °C at 760 mmHg
• Flash Point: 183 °C
• Appearance: White/Crystalline Powder
• Density: 1.506 g/cm³
• Vapor Pressure: 6.06E-06mmHg at 25°C
• Refractive Index: 1.613
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 8.92±0.40(Predicted)
• CAS DataBase Reference: Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate(3641-14-3)
• EPA Substance Registry System: Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate(3641-14-3)

Safety Data

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 3641-14-3(Hazardous Substances Data)

Usage

General Description

Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate is a chemical compound with the molecular formula C5H6N4O2. It is a white crystalline powder with a molecular weight of 158.12 g/mol. Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate is commonly used in the pharmaceutical industry as a building block for the synthesis of various pharmaceuticals and agrochemicals. It is also used as an intermediate in the production of herbicides and plant growth regulators. Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate is known for its versatile reactivity and is a valuable compound in organic synthesis. It is important for its role in the development of new drugs and agricultural products.

InChI:InChI=1/C4H6N4O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H3,5,6,7,8)

Upstream product

• 67-56-1 methanol 
• 3641-13-2 5-amino-1H-[1,2,4]triazole-3-carboxylic acid 
• 3641-13-2 3-amino-1,2,4-triazole-5-carboxylic acid 

Downstream Products

• 3641-15-4 3-amino-1H-1,2,4-triazole-5-carbohydrazide 
• 4928-88-5 methyl 1H-1,2,4-triazole-3-carboxylate 
• 1019126-62-5 5-amino-N-methyl-1H-1,2,4-triazole-3-carboxamide 
• 1311315-62-4 methyl-4Н-[1,2,4]triazolo[5,1-с][1,2,4]benzothiadiazine-2-carboxylate 5,5-dioxide 
• 1354692-80-0 5-{[(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-1-methyl-pyrrolidine-2-carbonyl]-amino}-2H-[1,2,4]triazole-3-carboxylic acid methyl ester 
• 1337957-20-6 6,6-dimethyl-8-oxo-9-p-tolyl-(4,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline)-2-carboxylic acid methyl ester 
• 704911-47-7 methyl 3-bromo-1H-1,2,4-triazole-5-carboxylate 
• 60016-63-9 3-Amino-5-carbamoyl-1,2,4-triazol 
• 1020171-19-0 C₃₂H₃₂N₄O₆ 
• 1020171-17-8 C₃₂H₃₂N₄O₆ 
• 114040-29-8 ethyl 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate 
• 921225-11-8 (5-amino-1H-1,2,4-triazol-3-yl)(morpholino)methanone 
• 704911-47-7 methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate 
• 53566-46-4 methyl 5-azido-1H-1,2,4-triazole-3-carboxylate 

Relevant articles and documents

Design, synthesis and mechanistic study of new 1,2,4-triazole derivatives as antimicrobial agents

Novel 5-amino-1,2,4-triazole derivatives and their cyclized 1,2,4-triazolo[1,5-a]pyrimidine analogues were designed, synthesized and evaluated for their antimicrobial activities. They were tested against five bacterial strains (Methicillin Resistant S. aureus (MRSA), E. coli, K. pneumoniae, A. baumannii and P. aeruginosa) using ciprofloxacin as a positive control and against two fungal strains (C. albicans and C. neoformans) using fluconazole and amphotericin B as positive controls. Compounds 9, 13a and 13b showed high to moderate antifungal activities against candida albicans (MIC values = 4–32 μg/ml), with considerable safety profiles; where no cytotoxicity against human embryonic kidney or red blood cells were detected at concentrations up to 32 μg/mL. Furthermore, compound 9 showed significant inhibitory activity against lansterol 14α-demethylase (IC50 = 0.27 μM), compared to the reference drug fluconazole (IC50 = 0.25 μM). Molecular docking of compound 9 into the active site of the cytochrome P450 enzyme revealed comparable binding modes and docking scores to those of fluconazole. Finally, in silico ADME studies prediction and drug-like properties of these compounds revealed favorable oral bioavailability results.

Synthesis of esters and amides of 5-amino-1,2,4-triazole-3-carboxylic and 5-amino-1,2,4-triazol-3-ylacetic acids

Various synthetic routes to esters and amides of 5-amino-1,2,4-triazole-3- carboxylic and 5-amino-1,2,4-triazol-3-ylacetic acids were examined. Pleiades Publishing, Inc., 2006.

HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK

Disclosed herein are new heterocyclic compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of inhibiting PAS Kinase (PASK) activity in a human or animal subject are also provided for the treatment of diseases such as diabetes mellitus.