1,4,6,7-Tetrahydroimidazo[4,5-d][1,3]diazepine-5,8-dione

Base Information

• Chemical Name: 1,4,6,7-Tetrahydroimidazo[4,5-d][1,3]diazepine-5,8-dione
• CAS No.: 139173-34-5
• Molecular Formula: C6H6N4O2
• Molecular Weight: 166.13700
• DSSTox Substance ID: DTXSID80568537
• Wikidata: Q82454820

Synonyms:139173-34-5;1,4,6,7-Tetrahydroimidazo[4,5-d][1,3]diazepine-5,8-dione;SCHEMBL5745555;DTXSID80568537;OSHGFPDIPWJEEL-UHFFFAOYSA-N;4,5,6,7-Tetrahydro-1H,8H-imidazo[4,5-d][1,3]diazepine-5,8-dione

Chemical Property of 1,4,6,7-Tetrahydroimidazo[4,5-d][1,3]diazepine-5,8-dione

Chemical Property:

• PSA: 90.37000
• LogP: -0.49450
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 166.04907545
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

3,4,6,7-tetrahydro-Imidazo[4,5-d][1,3]diazepine-5,8-dione 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)C2=C(NC(=O)N1)N=CN2

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