1h-1,2,4-Triazole-1-carboxamide

Base Information

• Chemical Name: 1h-1,2,4-Triazole-1-carboxamide
• CAS No.: 35101-89-4
• Molecular Formula: C3H4N4O
• Molecular Weight: 112.091
• Hs Code.: 2933990090
• NSC Number: 142797
• DSSTox Substance ID: DTXSID60301383
• Wikidata: Q82045191
• Mol file: 35101-89-4.mol

Synonyms:35101-89-4;1h-1,2,4-triazole-1-carboxamide;NSC142797;1H-1,2,4-Triazole-1-carboxamide(9CI);1-carbamoyl-1,2,4-triazole;SCHEMBL1774032;DTXSID60301383;AKOS006339231;NSC-142797

Chemical Property of 1h-1,2,4-Triazole-1-carboxamide

Chemical Property:

• Vapor Pressure: 0.000234mmHg at 25°C
• Refractive Index: 1.737
• Boiling Point: 325.2 °C at 760 mmHg
• PKA: 10.97±0.50(Predicted)
• Flash Point: 150.5 °C
• PSA: 73.80000
• Density: 1.69 g/cm³
• LogP: -0.09480
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 112.03851076
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NN(C=N1)C(=O)N

Technology Process of 1h-1,2,4-Triazole-1-carboxamide

There total 2 articles about 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: 70.0%

1-cyano-1,2,4-triazole (175351-39-0) → 1,2,4-triazol-1-carboxamide (35101-89-4)

Guidance literature:

With water; In acetone; for 0.0833333h; Heating;

DOI:10.1023/A:1012317604330

Reference yield:

→ 1,2,4-triazol-1-carboxamide (35101-89-4)

Guidance literature:

1, Bromcyan, H2O;

Reference yield:

1,2,4-triazol-1-carboxamide (35101-89-4) → 1,2,4-Triazole (288-88-0)

Guidance literature:

With hydrogenchloride; borax; sodium hydroxide; sodium tetraborate; In 1,4-dioxane; water; at 30 ℃; pH=7.85; Further Variations:; pH-values; Kinetics;

DOI:10.1023/A:1012317604330

upstream raw materials:

1-cyano-1,2,4-triazole

Downstream raw materials:

1,2,4-Triazole

Refernces