| CAS Number | 1394041-13-4 |
| Catalog Number | AG01A02R(AGN-PC-0WORG7) |
| Chemical Name | 3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride |
| IUPAC Name | 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride |
| InChI | InChI=1S/C8H14N4.2ClH/c1-6(2)8-11-10-7-5-9-3-4-12(7)8;;/h6,9H,3-5H2,1-2H3;2*1H |
| InChI Key | YVMCJVURUWZTJK-UHFFFAOYSA-N |
| MDL Number | MFCD22375423 |
| Molecular Formula | C8H16Cl2N4 |
| Molecular Weight | 239.1454 |
| SMILES | Cl.Cl.CC(C1N2C(CNCC2)=NN=1)C |
| Synonyms | 3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride,
1394041-13-4,
AKOS026741733,
NE49440,
RP28364,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.144g/mol |
| Monoisotopic Mass | 238.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number