| CAS Number | 1221726-01-7 |
| Catalog Number | AG01A8BK |
| Chemical Name | 1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine dihydrochloride |
| IUPAC Name | 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine;dihydrochloride |
| InChI | InChI=1S/C10H14N6.2ClH/c1-8-6-9(15-4-2-11-3-5-15)16-10(14-8)12-7-13-16;;/h6-7,11H,2-5H2,1H3;2*1H |
| InChI Key | WKGPTIKLDROTBC-UHFFFAOYSA-N |
| MDL Number | MFCD15209695 |
| Molecular Formula | C10H16Cl2N6 |
| Molecular Weight | 291.1802 |
| SMILES | Cl.Cl.CC1=NC2N(N=CN=2)C(N2CCNCC2)=C1 |
| Synonyms | 1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine dihydrochloride,
1221726-01-7,
AC1Q3A8N,
CTK6B5541,
NE34738,
EN300-61238,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.18g/mol |
| Monoisotopic Mass | 290.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number