| CAS Number | 1443978-44-6 |
| Catalog Number | AG01BHVB |
| Chemical Name | 6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid |
| IUPAC Name | 6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid |
| InChI | InChI=1S/C8H7N3O3/c1-4-3-11-6(7(12)9-4)2-5(10-11)8(13)14/h2-3H,1H3,(H,9,12)(H,13,14) |
| InChI Key | RRQROQVUXCSQCE-UHFFFAOYSA-N |
| MDL Number | MFCD25953190 |
| Molecular Formula | C8H7N3O3 |
| Molecular Weight | 193.1595 |
| SMILES | CC1NC(=O)C2N(N=C(C(O)=O)C=2)C=1 |
| Synonyms | 6-methyl-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid,
1443978-44-6,
ZINC96031989,
AKOS026706786,
AKOS030220369,
F1907-1189,
Z1879342663,
4-hydroxy-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid,
6-methyl-4-oxo-4,5-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.162g/mol |
| Monoisotopic Mass | 193.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number