Name: Name:1-(2-aminophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG019MR3
Rating: 90 (10 reviews)

1-(2-aminophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS No.:

1087784-31-3

Catalog Number:

AG019MR3

Molecular Formula:

C11H9N5O

Molecular Weight:

227.2221

Catalog Number:

AG019MR3

Chemical Name:

1-(2-aminophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS Number:

1087784-31-3

Molecular Formula:

C11H9N5O

Molecular Weight:

227.2221

MDL Number:

MFCD11099478

IUPAC Name:

1-(2-aminophenyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

InChI:

InChI=1S/C11H9N5O/c12-8-3-1-2-4-9(8)16-10-7(5-15-16)11(17)14-6-13-10/h1-6H,12H2,(H,13,14,17)

InChI Key:

STJKZRWNDZEFGO-UHFFFAOYSA-N

SMILES:

Nc1ccccc1n1ncc2c1nc[nH]c2=O

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.227g/mol

Monoisotopic Mass:

227.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3