| CAS Number | 1258641-11-0 |
| Catalog Number | AG01AA21(AGN-PC-0WO2HJ) |
| Chemical Name | 1,6-dimethyl-4-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-3-one |
| 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 |
| MDL Number | MFCD17167132 |
| Molecular Formula | C9H12F3N3O |
| Molecular Weight | 235.2063 |
| SMILES | CC1NC2N(NC(=O)C=2C(C(F)(F)F)C1)C |
| Synonyms | 1,6-dimethyl-4-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-3-one,
1258641-11-0,
AC1Q2QMH,
AKOS023166116,
NE37512,
EN300-66812,
Z1160899466,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.21g/mol |
| Monoisotopic Mass | 235.093g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number