| CAS Number | 1338692-39-9 |
| Catalog Number | AG00HT2O(AGN-PC-0WAYFQ) |
| Chemical Name | 1-([1-(2-Fluorophenyl)-1h-1,2,3-triazol-5-yl]methyl)piperazine |
| IUPAC Name | 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperazine |
| InChI | InChI=1S/C13H16FN5/c14-12-3-1-2-4-13(12)19-11(9-16-17-19)10-18-7-5-15-6-8-18/h1-4,9,15H,5-8,10H2 |
| InChI Key | HWWDGQCSDVHVOS-UHFFFAOYSA-N |
| MDL Number | MFCD28023524 |
| Molecular Formula | C13H18Cl2FN5 |
| Molecular Weight | 334.2199 |
| SMILES | Cl.Cl.FC3(=C(N1(N=NC=C1CN2(CCNCC2)))C=CC=C3) |
| Synonyms | 1338692-39-9,
1-{[1-(2-fluorophenyl)-1H-1,2,3-triazol-5-yl]methyl}piperazine,
1-((1-(2-Fluorophenyl)-1H-1,2,3-triazol-5-yl)methyl)piperazine,
1-([1-(2-Fluorophenyl)-1h-1,2,3-triazol-5-yl]methyl)piperazine,
C13H16FN5,
BBL019598,
HTS001588,
MFCD22390669,
ZINC70460976,
AKOS027257582,
1-{[1-(2-fluorophenyl)-1H-1,2,3-triazol-5-yl]methyl}piperazine dihydrochloride,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.304g/mol |
| Monoisotopic Mass | 261.139g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number