2-(4-Aminophenyl)-6-tert-butyl-1h-pyrazolo[1,5-b][1,2,4]triazole

Base Information

• Chemical Name: 2-(4-Aminophenyl)-6-tert-butyl-1h-pyrazolo[1,5-b][1,2,4]triazole
• CAS No.: 152828-25-6
• Molecular Formula: C14H17 N5
• Molecular Weight: 255.322
• European Community (EC) Number: 415-910-7,687-781-7
• DSSTox Substance ID: DTXSID80571647
• Nikkaji Number: J1.649.144F
• Wikidata: Q72440932
• Mol file: 152828-25-6.mol

Synonyms:152828-25-6;2-(4-aminophenyl)-6-tert-butyl-1h-pyrazolo[1,5-b][1,2,4]triazole;4-(6-(tert-Butyl)-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline;4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline;2-(4-AMINOPHENYL)-6-TERT-BUTYL-1H-PYRAZOLO(1,5-B)(1,2,4)TRIAZOLE;2-(4-Aminophenyl)-6-(tert-butyl)-1H-pyrazolo[1,5-b][1,2,4]triazole;YSZXPOQOSPQIFI-UHFFFAOYSA-N;EC 415-910-7;SCHEMBL6922845;DTXSID80571647;GWWKREFFAKXRQV-UHFFFAOYSA-N;BCP34024;AC8735;MFCD17010120;AKOS015911717;MB69314;SY047684;NS00001762;Benzenamine, 4-(6-(1,1-dimethylethyl)-3H-pyrazolo(1,5-b)(1,2,4)triazol-2-yl)-

Chemical Property of 2-(4-Aminophenyl)-6-tert-butyl-1h-pyrazolo[1,5-b][1,2,4]triazole

Chemical Property:

• PKA: 6.49±0.10(Predicted)
• PSA: 72.00000
• Density: 1.29g/cm³
• LogP: 3.18530
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 255.14839556
• Heavy Atom Count: 19
• Complexity: 318

Purity/Quality:

99.9% ^*data from raw suppliers

2-(4-Aminophenyl)-6-tert-butyl-1h-pyrazolo[1,5-b][1,2,4]triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 43-51/53
• Safety Statements: 22-24-37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=NC(=NN2N1)C3=CC=C(C=C3)N