3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide

Base Information

• Chemical Name: 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide
• CAS No.: 89033-07-8
• Molecular Formula: C3H5N5O
• Molecular Weight: 127.1047
• NSC Number: 104157
• UNII: XPT80O2U3A
• DSSTox Substance ID: DTXSID80237493
• Wikidata: Q83119672

Synonyms:89033-07-8;3-amino-1h-1,2,4-triazole-1-carboxamide;3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide;NSC104157;XPT80O2U3A;NSC-104157;NSC 104157;UNII-XPT80O2U3A;NCIOpen2_001782;DTXSID80237493;AKOS006339312;5-imino-1H-1,2,4-triazole-2-carboxamide;1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE, 3-AMINO-

Chemical Property of 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide

Chemical Property:

• Vapor Pressure: 1.14E-07mmHg at 25°C
• Boiling Point: 432.1°C at 760 mmHg
• Flash Point: 215.1°C
• Density: 2.01g/cm³
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 127.04940980
• Heavy Atom Count: 9
• Complexity: 125

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=NN1C(=O)N)N

Technology Process of 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide

There total 2 articles about 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 23.0%

3(5)-amino-1,2,4-triazole (61-82-5) + potassium cyanate (590-28-3) → 5-amino-1-carbamoyl-1H-1,2,4-triazole (1489-02-7) + 3-amino-[1,2,4]triazole-1-carboxylic acid amide (89033-07-8)

Guidance literature:

With hydrogenchloride; for 2h; Ambient temperature;

DOI:10.1021/jm970759u

Reference yield:

→ 3-amino-[1,2,4]triazole-1-carboxylic acid amide (89033-07-8)

Guidance literature:

upstream raw materials:

3⁽⁵⁾-amino-1,2,4-triazole

potassium cyanate

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