| CAS Number | 1935580-16-7 |
| Catalog Number | AG01C659 |
| Chemical Name | 6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid |
| IUPAC Name | 6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid |
| InChI | InChI=1S/C8H9N3O3/c1-4-3-11-6(7(12)9-4)2-5(10-11)8(13)14/h2,4H,3H2,1H3,(H,9,12)(H,13,14) |
| InChI Key | PVFMQTPYIIUUBF-UHFFFAOYSA-N |
| MDL Number | MFCD29046116 |
| Molecular Formula | C8H9N3O3 |
| Molecular Weight | 195.1754 |
| SMILES | CC1NC(=O)C2N(N=C(C(O)=O)C=2)C1 |
| Synonyms | 6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid,
1935580-16-7,
AKOS026706605,
F1907-0951,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.178g/mol |
| Monoisotopic Mass | 195.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number