| CAS Number | 2094628-99-4 |
| Catalog Number | AG01E800 |
| Chemical Name | 7-methyl-3-[(methylamino)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride |
| IUPAC Name | 7-methyl-3-(methylaminomethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride |
| InChI | InChI=1S/C8H13N5O.2ClH/c1-9-5-6-10-11-7-8(14)12(2)3-4-13(6)7;;/h9H,3-5H2,1-2H3;2*1H |
| InChI Key | BEIBTLHCKUMHCR-UHFFFAOYSA-N |
| MDL Number | MFCD30734283 |
| Molecular Formula | C8H15Cl2N5O |
| Molecular Weight | 268.1436 |
| SMILES | Cl.Cl.CNCC1N2C(C(N(CC2)C)=O)=NN=1 |
| Synonyms | 7-methyl-3-[(methylamino)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride,
AKOS034045722,
Z2830704639,
2094628-99-4,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.142g/mol |
| Monoisotopic Mass | 267.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number