| CAS Number | 1423025-72-2 |
| Catalog Number | AG01A1SJ |
| Chemical Name | 2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-5,7-dione |
| IUPAC Name | 2,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione |
| InChI | InChI=1S/C8H9N3O2/c1-4-3-6-9-7(12)5(2)8(13)11(6)10-4/h3,5H,1-2H3,(H,9,12) |
| InChI Key | UABMKFNHZHACRX-UHFFFAOYSA-N |
| MDL Number | MFCD22565936 |
| Molecular Formula | C8H9N3O2 |
| Molecular Weight | 179.1760 |
| SMILES | CC1C(=O)N2C(=CC(=N2)C)NC1=O |
| Synonyms | 2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-5,7-dione,
1423025-72-2,
MCULE-6460439590,
NE22663,
AP-782/41885323,
Z1575143782,
2,6-dimethylpyrazolo[1,5-a]pyrimidine-5,7(4H,6H)-dione,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.179g/mol |
| Monoisotopic Mass | 179.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number