| CAS Number | 1310199-27-9 |
| Catalog Number | AG01F5ZK(AGN-PC-3H4953) |
| Chemical Name | 7-hydroxy-5,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| IUPAC Name | 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| InChI | InChI=1S/C9H8N4O/c1-5-6(2)12-8-7(3-10)4-11-13(8)9(5)14/h4,11H,1-2H3 |
| InChI Key | BFLPQBDJKKLMBO-UHFFFAOYSA-N |
| MDL Number | MFCD19312261 |
| Molecular Formula | C9H8N4O |
| Molecular Weight | 188.1860 |
| SMILES | N#Cc1cnn2c1nc(C)c(c2O)C |
| Synonyms | 1310199-27-9,
5,6-Dimethyl-7-hydroxy-pyrazolo[1,5-a]pyrimidine-3-carbonitrile,
7-Hydroxy-5,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile,
ZINC71473926,
|
| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.19g/mol |
| Monoisotopic Mass | 188.07g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number