| CAS Number | 1609400-04-5 |
| Catalog Number | AG00J0XY(AGN-PC-0WB6B2) |
| Chemical Name | Piperazin-1-yl(1H-1,2,4-triazol-3-yl)methanone hydrochloride |
| IUPAC Name | piperazin-1-yl(1H-1,2,4-triazol-5-yl)methanone;hydrochloride |
| InChI | InChI=1S/C7H11N5O.ClH/c13-7(6-9-5-10-11-6)12-3-1-8-2-4-12;/h5,8H,1-4H2,(H,9,10,11);1H |
| InChI Key | GQAFWHSOJLLBHB-UHFFFAOYSA-N |
| MDL Number | MFCD07781117 |
| Molecular Formula | C7H12ClN5O |
| Molecular Weight | 217.6561 |
| SMILES | C1(=NNC=N1)C(=O)N1CCNCC1.Cl |
| Synonyms | 1609400-04-5,
1-(1H-1,2,4-Triazol-3-ylcarbonyl)piperazine hydrochloride,
Piperazin-1-yl(1H-1,2,4-triazol-3-yl)methanone hydrochloride,
ZX-CM002020,
MFCD07781117,
AKOS027426595,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.657g/mol |
| Monoisotopic Mass | 217.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number