2-(Cyanomethyl)-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carbonitrile

Base Information

• Chemical Name: 2-(Cyanomethyl)-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carbonitrile
• CAS No.: 860784-91-4
• Molecular Formula: C13H9N5O
• Molecular Weight: 251.24
• DSSTox Substance ID: DTXSID201331868
• ChEMBL ID: CHEMBL1579526

Synonyms:860784-91-4;2-(cyanomethyl)-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carbonitrile;2-(cyanomethyl)-6-oxo-6H,7H,8H,9H-pyrazolo[1,5-a]quinazoline-3-carbonitrile;2-(cyanomethyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carbonitrile;MLS000763839;CHEMBL1579526;DTXSID201331868;HMS2709F18;AKOS005081462;SMR000336468;12T-0336

Chemical Property of 2-(Cyanomethyl)-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carbonitrile

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 251.08070993
• Heavy Atom Count: 19
• Complexity: 486

Purity/Quality:

2-(Cyanomethyl)-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carbonitrile ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C=NC3=C(C(=NN23)CC#N)C#N)C(=O)C1

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