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15908-70-0 | 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 3-amino-1,5-dihydro-6-phenyl-
CAS No: 15908-70-0 Catalog No: AG001QGT MDL No:
Product Description
Catalog Number:
AG001QGT
Chemical Name:
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 3-amino-1,5-dihydro-6-phenyl-
CAS Number:
15908-70-0
Molecular Formula:
C11H9N5O
Molecular Weight:
227.2221
IUPAC Name:
3-amino-6-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI:
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:
Nc1n[nH]c2c1c(=O)[nH]c(n2)c1ccccc1
NSC Number:
120307
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.227g/mol
Monoisotopic Mass:
227.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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