| CAS Number | 2031259-29-5 |
| Catalog Number | AG01B799 |
| Chemical Name | 3,7-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid dihydrochloride |
| IUPAC Name | 3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C8H12N4O2.2ClH/c1-5-9-10-7-4-11(2)6(8(13)14)3-12(5)7;;/h6H,3-4H2,1-2H3,(H,13,14);2*1H |
| InChI Key | WBKMUVJKFQORMD-UHFFFAOYSA-N |
| MDL Number | MFCD30345197 |
| Molecular Formula | C8H14Cl2N4O2 |
| Molecular Weight | 269.1284 |
| SMILES | Cl.Cl.CN1C(C(O)=O)CN2C(=NN=C2C)C1 |
| Synonyms | 3,7-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid dihydrochloride,
2031259-29-5,
AKOS033960595,
Z2630872513,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.126g/mol |
| Monoisotopic Mass | 268.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number