| CAS Number | 72668-56-5 |
| Catalog Number | AG019K69(AGN-PC-0NJ4NY) |
| Chemical Name | 6-methyl-5H,6H,7H,8H-pyrazino[2,3-d]pyridazine-5,8-dione |
| IUPAC Name | 6-methyl-7H-pyrazino[2,3-d]pyridazine-5,8-dione |
| InChI | InChI=1S/C7H6N4O2/c1-11-7(13)5-4(6(12)10-11)8-2-3-9-5/h2-3H,1H3,(H,10,12) |
| InChI Key | PYUBLQHYYQQNEF-UHFFFAOYSA-N |
| MDL Number | MFCD06251598 |
| Molecular Formula | C7H6N4O2 |
| Molecular Weight | 178.1481 |
| SMILES | CN1C(=O)C2=C(N=CC=N2)C(=O)N1 |
| Synonyms | 6-methyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione,
6-methyl-5H,6H,7H,8H-pyrazino[2,3-d]pyridazine-5,8-dione,
72668-56-5,
AC1Q40GE,
CTK7H0329,
ZINC9339788,
AKOS024384970,
MCULE-3821118178,
NE19884,
ST51035530,
EN300-25690,
Z220383530,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.151g/mol |
| Monoisotopic Mass | 178.049g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 75.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number