| CAS Number | 1708944-49-3 |
| Catalog Number | AG01BTN6 |
| Chemical Name | 3-Bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one |
| IUPAC Name | 3-bromo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one |
| InChI | InChI=1S/C6H6BrN3O/c7-4-3-9-10-2-1-8-6(11)5(4)10/h3H,1-2H2,(H,8,11) |
| InChI Key | DJTINKMMVOABCE-UHFFFAOYSA-N |
| MDL Number | MFCD30730617 |
| Molecular Formula | C6H6BrN3O |
| Molecular Weight | 216.0353 |
| SMILES | BrC=1C=NN2C1C(NCC2)=O |
| Synonyms | 3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one,
1708944-49-3,
SCHEMBL16682624,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.038g/mol |
| Monoisotopic Mass | 214.969g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number