| CAS Number | 2094340-67-5 |
| Catalog Number | AG01E8DY |
| Chemical Name | 3-(aminomethyl)-7-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride |
| IUPAC Name | 3-(aminomethyl)-7-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride |
| InChI | InChI=1S/C7H11N5O.2ClH/c1-11-2-3-12-5(4-8)9-10-6(12)7(11)13;;/h2-4,8H2,1H3;2*1H |
| InChI Key | JPMATBPZDAPUBF-UHFFFAOYSA-N |
| MDL Number | MFCD31381315 |
| Molecular Formula | C7H13Cl2N5O |
| Molecular Weight | 254.117 |
| SMILES | Cl.Cl.CN1C(=O)C2N(C(=NN=2)CN)CC1 |
| Synonyms | 3-(aminomethyl)-7-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride,
AKOS034030551,
Z2787258415,
2094340-67-5,
|
| Complexity | 221 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.115g/mol |
| Monoisotopic Mass | 253.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number