Name: Name:1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidin-4-one
Brand: Angene
SKU: AG01BCT6
Rating: 90 (10 reviews)

1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidin-4-one

CAS No.:

1094236-86-8

Catalog Number:

AG01BCT6

Molecular Formula:

C11H13N5O

Molecular Weight:

231.2538

Catalog Number:

AG01BCT6

Chemical Name:

1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidin-4-one

CAS Number:

1094236-86-8

Molecular Formula:

C11H13N5O

Molecular Weight:

231.2538

MDL Number:

MFCD11177710

IUPAC Name:

1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-one

InChI:

InChI=1S/C11H13N5O/c1-15-10-9(6-14-15)11(13-7-12-10)16-4-2-8(17)3-5-16/h6-7H,2-5H2,1H3

InChI Key:

COCDJBVRWYLHPU-UHFFFAOYSA-N

SMILES:

O=C1CCN(CC1)c1ncnc2c1cnn2C

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.259g/mol

Monoisotopic Mass:

231.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1