5-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxamide

Base Information

• Chemical Name: 5-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxamide
• CAS No.: 1346604-13-4
• Molecular Formula: C5H4N4O
• Molecular Weight: 136.11146
• Hs Code.: 2933199050
• UNII: 08NO0BP96Y
• DSSTox Substance ID: DTXSID40158857
• Wikidata: Q27236411
• Mol file: 1346604-13-4.mol

Synonyms:1346604-13-4;Allopurinol Impurity C;5-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxamide;3-(4H-1,2,4-Triazol-4-yl)-1H-pyrazole-4-carboxamide;5-(1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxamide;UNII-08NO0BP96Y;Allopurinol impurity C [EP];08NO0BP96Y;1H-Pyrazole-4-carboxamide, 3-(4H-1,2,4-triazol-4-yl)-;DTXSID40158857;AS-0250;ALLOPURINOL IMPURITY C [EP IMPURITY];EN300-1180044;Q27236411;Z1255401569

Chemical Property of 5-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxamide

Chemical Property:

• Boiling Point: 579.3±60.0 °C(Predicted)
• PKA: 9.36±0.50(Predicted)
• PSA: 103.47000
• Density: 1.85±0.1 g/cm3(Predicted)
• LogP: -0.02650
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 178.06030884
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

99.0% Min ^*data from raw suppliers

3-(4H-1,2,4-Triazol-4-yl)-1H-pyrazole-4-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=C1C(=O)N)N2C=NN=C2
• Uses: An impurity of Allopurinol (A547300). 3-(4H-1,2,4-Triazol-4-yl)-1H-pyrazole-4-carboxamide (Allopurinol EP Impurity C) is an impurity of Allopurinol (A547300).