Name: Name:1-[3-(trifluoromethyl)phenyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG019KY8
Rating: 90 (10 reviews)

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

CAS No.:

949654-67-5

Catalog Number:

AG019KY8

Molecular Formula:

C12H7F3N4O

Molecular Weight:

280.2054

Catalog Number:

AG019KY8

Chemical Name:

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

CAS Number:

949654-67-5

Molecular Formula:

C12H7F3N4O

Molecular Weight:

280.2054

MDL Number:

MFCD09802114

IUPAC Name:

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

InChI:

InChI=1S/C12H7F3N4O/c13-12(14,15)7-2-1-3-8(4-7)19-10-9(5-18-19)11(20)17-6-16-10/h1-6H,(H,16,17,20)

InChI Key:

ACCXPRCBLWJUGW-UHFFFAOYSA-N

SMILES:

O=c1[nH]cnc2c1cnn2c1cccc(c1)C(F)(F)F

Complexity:

425

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.21g/mol

Monoisotopic Mass:

280.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9