| CAS Number | 1094253-40-3 |
| Catalog Number | AG018RXU(AGN-PC-0WOCN1) |
| Chemical Name | 1-tert-butyl-6-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one |
| IUPAC Name | 1-tert-butyl-6-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one |
| InChI | InChI=1S/C10H14N4O/c1-6-12-8-7(9(15)13-6)5-11-14(8)10(2,3)4/h5H,1-4H3,(H,12,13,15) |
| InChI Key | DEKNRIWRNXEUHY-UHFFFAOYSA-N |
| MDL Number | MFCD11207441 |
| Molecular Formula | C10H14N4O |
| Molecular Weight | 206.2444 |
| SMILES | CC1NC(=O)C2=C(N(C(C)(C)C)N=C2)N=1 |
| Synonyms | 1-tert-butyl-6-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one,
1094253-40-3,
1-(tert-Butyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one,
ZINC36928371,
AKOS009324028,
MCULE-4964708843,
NE42169,
RP26236,
F8881-5566,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.249g/mol |
| Monoisotopic Mass | 206.117g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number