| CAS Number | 1332528-94-5 |
| Catalog Number | AG00HSTD(AGN-PC-0WB6HU) |
| Chemical Name | 5-(1-Piperazinyl)[1,2,4]triazolo[4,3-a]pyrimidine dihydrochloride |
| IUPAC Name | 5-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine;dihydrochloride |
| InChI | InChI=1S/C9H12N6.2ClH/c1-2-11-9-13-12-7-15(9)8(1)14-5-3-10-4-6-14;;/h1-2,7,10H,3-6H2;2*1H |
| InChI Key | NSXHUMBTIWHKRN-UHFFFAOYSA-N |
| MDL Number | MFCD19103505 |
| Molecular Formula | C9H14Cl2N6 |
| Molecular Weight | 277.1537 |
| SMILES | N12C=NN=C1N=CC=C2N1CCNCC1.Cl.Cl |
| Synonyms | 1332528-94-5,
5-(1-Piperazinyl)[1,2,4]triazolo[4,3-a]pyrimidine dihydrochloride,
5-(Piperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrimidine dihydrochloride,
ZX-CM010011,
MFCD19103505,
AKOS027426372,
T4764,
1-{[1,2,4]triazolo[4,3-a]pyrimidin-5-yl}piperazine dihydrochloride,
5-PIPERAZIN-1-YL[1,2,4]TRIAZOLO[4,3-A]PYRIMIDINE DIHYDROCHLORIDE,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.153g/mol |
| Monoisotopic Mass | 276.066g/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