| CAS Number | 2089255-36-5 |
| Catalog Number | AG01E9B3 |
| Chemical Name | 3-(2-aminoethyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride |
| IUPAC Name | 3-(2-aminoethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride |
| InChI | InChI=1S/C7H9N5O.2ClH/c8-2-1-5-10-11-6-7(13)9-3-4-12(5)6;;/h3-4H,1-2,8H2,(H,9,13);2*1H |
| InChI Key | UNSDHNKJOYFKPJ-UHFFFAOYSA-N |
| MDL Number | MFCD30724241 |
| Molecular Formula | C7H11Cl2N5O |
| Molecular Weight | 252.1011 |
| SMILES | Cl.Cl.NCCC1N2C(C(NC=C2)=O)=NN=1 |
| Synonyms | 3-(2-aminoethyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride,
Z2768769233,
2089255-36-5,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.099g/mol |
| Monoisotopic Mass | 251.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number