Name: Name:1-tert-butyl-6-chloro-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG01A89P
Rating: 90 (10 reviews)

1-tert-butyl-6-chloro-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS No.:

927838-01-5

Catalog Number:

AG01A89P

Molecular Formula:

C9H11ClN4O

Molecular Weight:

226.6628

Catalog Number:

AG01A89P

Chemical Name:

1-tert-butyl-6-chloro-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS Number:

927838-01-5

Molecular Formula:

C9H11ClN4O

Molecular Weight:

226.6628

MDL Number:

MFCD16040011

IUPAC Name:

1-tert-butyl-6-chloro-5H-pyrazolo[3,4-d]pyrimidin-4-one

InChI:

InChI=1S/C9H11ClN4O/c1-9(2,3)14-6-5(4-11-14)7(15)13-8(10)12-6/h4H,1-3H3,(H,12,13,15)

InChI Key:

OOUXWYRIBKVRRI-UHFFFAOYSA-N

SMILES:

CC(n1ncc2c1nc(Cl)[nH]c2=O)(C)C

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.664g/mol

Monoisotopic Mass:

226.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3