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

Basic Information

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CAS Number

3641-14-3

Molecular Formula

C4H6N4O2

Molecular Weight

142.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

218-222 °C

Boiling Point

379°C at 760 mmHg

Density

1.505

Flash Point

183°C

Refractive Index

1.613

SMILES

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COC(=O)C1=NC(=NN1)N

InChI

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

InChIKey

OSZNPKRMPBUQLB-UHFFFAOYSA-N

LogP

-0.8265000000000002

Topological Polar Surface Area

93.89 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

139

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NSC139097
33BDL3S99S
methyl 5-amino-1H-[1,2,4]TRIAZOLE-3-carboxylate
AKOS000271130
SCHEMBL368898
5-AMINO-1H-(1,2,4)TRIAZOLE-3-CARBOXYLIC ACID METHYL ESTER
5-Amino-1H-1,2,4-triazole-3-carboxylic acid methyl ester
AKOS001476175
SY025877
DTXSID10189936
NSC 139097
3641-14-3
CS-W011023
MFCD00297193
UNII-33BDL3S99S
Z56886405
Methyl 5-amino-4H-[1,2,4]triazole-3-carboxylate
2,4-Triazole-3-carboxylicacid,5-amino-1h-methylester;5-Amino-1h-1,2,4-Triazole-3-Carboxylic Acid Methyl Ester Sulfate;Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate;3-Amino-5-(methoxycarbonyl)-1,2,4-triazole;5-Amino-1h-1,2,4-Triazole-3-Carboxylic Acid Met
Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate
AM20090581
AKOS001445310
OSZNPKRMPBUQLB-UHFFFAOYSA-N
5-Amino-1H-[1,2,4]triazole-3-carboxylic acid methyl ester
3-amino-5-methoxycarbonyl-s-triazole
methyl 3-amino-1,2,4-triazole-5-carboxylate
s-Triazole-3-carboxylic acid, methyl ester
NSC-139097
1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, methyl ester
AS-17581
Methyl 5-Amino-1,2,4-triazole-3-carboxylate
methyl 3-amino-1H-1,2,4-triazole-5-carboxylate

MDL Number

MFCD00297193

Customs Code

2933990090

FAQ

What is Methyl 3-amino-1H-1,2,4-triazole-5-carboxylate (CAS: 3641-14-3)?

Methyl 3-amino-1H-1,2,4-triazole-5-carboxylate (CAS: 3641-14-3) is a colorless to white crystalline compound characterized by its aromatic and nitrogen-containing heterocyclic structure. It is used in pharmaceuticals and as a research reagent.

What are the main uses of Methyl 3-amino-1H-1,2,4-triazole-5-carboxylate (CAS: 3641-14-3)?

Methyl 3-amino-1H-1,2,4-triazole-5-carboxylate (CAS: 3641-14-3) is primarily used in the pharmaceutical industry for the synthesis of antifungal and antiviral drugs. It is also a useful reagent in various chemical reactions, particularly in organic synthesis.

Is Methyl 3-amino-1H-1,2,4-triazole-5-carboxylate (CAS: 3641-14-3) safe?

Methyl 3-amino-1H-1,2,4-triazole-5-carboxylate (CAS: 3641-14-3) is generally considered safe for laboratory use when handled with appropriate precautions. However, it should be stored in a cool, dry place away from direct sunlight and fire sources, and proper protective measures, such as gloves and goggles, should be used during handling.

How should Methyl 3-amino-1H-1,2,4-triazole-5-carboxylate (CAS: 3641-14-3) be stored?

Methyl 3-amino-1H-1,2,4-triazole-5-carboxylate (CAS: 3641-14-3) should be stored in a cool, dry place at temperatures below 25°C and away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent moisture absorption and degradation. Proper labeling and safety measures are essential for handling and storage.