Name: Name:1-(3,5-dimethylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG01EIGD
Rating: 90 (10 reviews)

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

CAS No.:

852840-43-8

Catalog Number:

AG01EIGD

Molecular Formula:

C13H12N4O

Molecular Weight:

240.2606

Catalog Number:

AG01EIGD

Chemical Name:

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

CAS Number:

852840-43-8

Molecular Formula:

C13H12N4O

Molecular Weight:

240.2606

MDL Number:

MFCD06680110

IUPAC Name:

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

InChI:

InChI=1S/C13H12N4O/c1-8-3-9(2)5-10(4-8)17-12-11(6-16-17)13(18)15-7-14-12/h3-7H,1-2H3,(H,14,15,18)

InChI Key:

PJQFZUZMLYDYIR-UHFFFAOYSA-N

SMILES:

Cc1cc(C)cc(c1)n1ncc2c1nc[nH]c2=O

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.266g/mol

Monoisotopic Mass:

240.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7