| CAS Number | 899822-41-4 |
| Catalog Number | AG01BK69 |
| Chemical Name | 6-methyl-1H,2H,3H,4H-imidazo[1,2-a][1,3,5]triazine-2,4-dione |
| IUPAC Name | 6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione |
| InChI | InChI=1S/C6H6N4O2/c1-3-2-7-4-8-5(11)9-6(12)10(3)4/h2H,1H3,(H2,7,8,9,11,12) |
| InChI Key | HTNSGUAKEYEURZ-UHFFFAOYSA-N |
| MDL Number | MFCD20729818 |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.1374 |
| SMILES | CC1N2C(NC(NC2=O)=O)=NC=1 |
| Synonyms | 899822-41-4,
6-methylimidazo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione,
Imidazo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione, 6-methyl-,
6-methyl-1h,2h,3h,4h-imidazo[1,2-a][1,3,5]triazine-2,4-dione,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.14g/mol |
| Monoisotopic Mass | 166.049g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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