Cas no 15908-70-0 (4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-amino-1,5-dihydro-6-phenyl-)

4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-amino-1,5-dihydro-6-phenyl- structure
15908-70-0 structure
Product Name:4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-amino-1,5-dihydro-6-phenyl-
CAS No:15908-70-0
MF:C11H9N5O
MW:227.222060918808
CID:162634
PubChem ID:135445581
Update Time:2025-04-19

4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-amino-1,5-dihydro-6-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-amino-1,5-dihydro-6-phenyl-
    • 3-amino-6-phenyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
    • 3-amino-4,5-dihydro-4-oxo-6-phenyl-1H-pyrazolo<3,4-d>pyrimidine
    • 4-Oxo-3-amino-6-phenyl-4,5-dihydro-1H-pyrazolo<3,4-d>pyrimidin
    • 3-amino-6-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
    • Oprea1_620922
    • NSC-120307
    • HMS2885J24
    • 3-amino-6-phenyl-2,5-dihydro-pyrazolo[4,3-e]pyrimidin-4-one
    • 3-Amino-6-phenyl-2,7-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
    • 3-amino-6-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
    • BDBM50125764
    • SMR000528545
    • MLS000737516
    • Maybridge1_001840
    • NSC120307
    • CCG-42074
    • DTXSID20298028
    • SR-01000632104-1
    • 3-Amino-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
    • HMS546L14
    • CHEMBL275408
    • 15908-70-0
    • Inchi: 1S/C11H9N5O/c12-8-7-10(16-15-8)13-9(14-11(7)17)6-4-2-1-3-5-6/h1-5H,(H4,12,13,14,15,16,17)
    • InChI Key: HTTMXXNJOHMNDV-UHFFFAOYSA-N
    • SMILES: O=C1C2=C(N)NN=C2N=C(C2C=CC=CC=2)N1

Computed Properties

  • Exact Mass: 227.08100
  • Monoisotopic Mass: 227.08070993g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 350
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 96.2?2

Experimental Properties

  • PSA: 100.45000
  • LogP: 1.47660
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