Name: Name:1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG01A0RD
Rating: 90 (10 reviews)

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

CAS No.:

54738-75-9

Catalog Number:

AG01A0RD

Molecular Formula:

C12H10N4O

Molecular Weight:

226.2340

Catalog Number:

AG01A0RD

Chemical Name:

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

CAS Number:

54738-75-9

Molecular Formula:

C12H10N4O

Molecular Weight:

226.2340

MDL Number:

MFCD09959861

IUPAC Name:

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

InChI:

InChI=1S/C12H10N4O/c1-8-2-4-9(5-3-8)16-11-10(6-15-16)12(17)14-7-13-11/h2-7H,1H3,(H,13,14,17)

InChI Key:

OUNSZGRPBAHKHX-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)n1ncc2c1nc[nH]c2=O

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.239g/mol

Monoisotopic Mass:

226.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8