| CAS Number | 1094377-59-9 |
| Catalog Number | AG01E8FS |
| Chemical Name | 1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one |
| IUPAC Name | 1-tert-butyl-5H-pyrazolo[3,4-d]pyrimidin-4-one |
| InChI | InChI=1S/C9H12N4O/c1-9(2,3)13-7-6(4-12-13)8(14)11-5-10-7/h4-5H,1-3H3,(H,10,11,14) |
| InChI Key | ZZRIVNFFUGROHS-UHFFFAOYSA-N |
| MDL Number | MFCD11207433 |
| Molecular Formula | C9H12N4O |
| Molecular Weight | 192.2178 |
| SMILES | CC(N1C2=C(C(NC=N2)=O)C=N1)(C)C |
| Synonyms | 1094377-59-9,
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one,
1-tert-butyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one,
1-(tert-butyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one,
ZINC26420874,
AKOS005208097,
MCULE-6113860974,
NE26245,
1-tert-butyl-5H-pyrazolo[3,4-d]pyrimidin-4-one,
F2135-0119,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.222g/mol |
| Monoisotopic Mass | 192.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number