Name: Name:3-bromo-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG01A9AC
Rating: 90 (10 reviews)

3-bromo-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS No.:

54738-70-4

Catalog Number:

AG01A9AC

Molecular Formula:

C6H5BrN4O

Molecular Weight:

229.0341

Catalog Number:

AG01A9AC

Chemical Name:

3-bromo-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS Number:

54738-70-4

Molecular Formula:

C6H5BrN4O

Molecular Weight:

229.0341

MDL Number:

MFCD06661806

IUPAC Name:

3-bromo-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

InChI:

InChI=1S/C6H5BrN4O/c1-11-5-3(4(7)10-11)6(12)9-2-8-5/h2H,1H3,(H,8,9,12)

InChI Key:

MODBUWPKWKQQDO-UHFFFAOYSA-N

SMILES:

Cn1nc(c2c1nc[nH]c2=O)Br

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.965g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.037g/mol

Monoisotopic Mass:

227.965g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4