Name: Name:4-{4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl}benzonitrile
Brand: Angene
SKU: AG01BFGA
Rating: 90 (10 reviews)

4-{4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl}benzonitrile

CAS No.:

1094828-05-3

Catalog Number:

AG01BFGA

Molecular Formula:

Molecular Weight:

Catalog Number:

AG01BFGA

Chemical Name:

4-{4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl}benzonitrile

CAS Number:

1094828-05-3

MDL Number:

MFCD11526392

IUPAC Name:

4-(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile

InChI:

InChI=1S/C12H7N5O/c13-5-8-1-3-9(4-2-8)17-11-10(6-16-17)12(18)15-7-14-11/h1-4,6-7H,(H,14,15,18)

InChI Key:

ANAGNHWOYLXOAO-UHFFFAOYSA-N

Complexity:

417

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.222g/mol

Monoisotopic Mass:

237.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1