| CAS Number | 2094616-91-6 |
| Catalog Number | AG01E7LJ |
| Chemical Name | 3-[(methylamino)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride |
| IUPAC Name | 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride |
| InChI | InChI=1S/C7H11N5O.2ClH/c1-8-4-5-10-11-6-7(13)9-2-3-12(5)6;;/h8H,2-4H2,1H3,(H,9,13);2*1H |
| InChI Key | KFTSDXHQNVQZIF-UHFFFAOYSA-N |
| MDL Number | MFCD30734284 |
| Molecular Formula | C7H13Cl2N5O |
| Molecular Weight | 254.117 |
| SMILES | Cl.Cl.CNCC1N2C(C(NCC2)=O)=NN=1 |
| Synonyms | 3-[(methylamino)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride,
AKOS034045707,
Z2830704519,
2094616-91-6,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.115g/mol |
| Monoisotopic Mass | 253.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number