Name: Name:1,6-dimethyl-4-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-3-one
Brand: Angene
SKU: AG01AA21
Rating: 90 (10 reviews)

1,6-dimethyl-4-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-3-one

CAS No.:

1258641-11-0

Catalog Number:

AG01AA21

Molecular Formula:

C9H12F3N3O

Molecular Weight:

235.2063

Catalog Number:

AG01AA21

Chemical Name:

1,6-dimethyl-4-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-3-one

CAS Number:

1258641-11-0

Molecular Formula:

C9H12F3N3O

Molecular Weight:

235.2063

MDL Number:

MFCD17167132

IUPAC Name:

1,6-dimethyl-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one

InChI:

InChI=1S/C9H12F3N3O/c1-4-3-5(9(10,11)12)6-7(13-4)15(2)14-8(6)16/h4-5,13H,3H2,1-2H3,(H,14,16)

InChI Key:

SCVOZUXQZCTDAL-UHFFFAOYSA-N

SMILES:

CC1CC(c2c(N1)n(C)[nH]c2=O)C(F)(F)F

Complexity:

364

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.21g/mol

Monoisotopic Mass:

235.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8