| CAS Number | 1550998-45-2 |
| Catalog Number | AG01DVMP |
| Chemical Name | 1-{pyrazolo[1,5-a]pyrazin-3-yl}ethan-1-one |
| IUPAC Name | 1-pyrazolo[1,5-a]pyrazin-3-ylethanone |
| InChI | InChI=1S/C8H7N3O/c1-6(12)7-4-10-11-3-2-9-5-8(7)11/h2-5H,1H3 |
| InChI Key | CSLRQDDQDXYDPS-UHFFFAOYSA-N |
| MDL Number | MFCD28625315 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | CC(C1=C2C=NC=CN2N=C1)=O |
| Synonyms | 1-{pyrazolo[1,5-a]pyrazin-3-yl}ethan-1-one,
1550998-45-2,
SCHEMBL17454538,
AKOS023622612,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.164g/mol |
| Monoisotopic Mass | 161.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number