| CAS Number | 1243250-23-8 |
| Catalog Number | AG009DWF(AGN-PC-0WB5VC) |
| Chemical Name | 1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)piperidine |
| IUPAC Name | 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine |
| InChI | InChI=1S/C8H13BrN4/c1-12-8(10-7(9)11-12)13-5-3-2-4-6-13/h2-6H2,1H3 |
| InChI Key | FRIUFJGMYVKXIT-UHFFFAOYSA-N |
| MDL Number | MFCD20694696 |
| Molecular Formula | C8H13BrN4 |
| Molecular Weight | 245.1196 |
| SMILES | C1(N2CCCCC2)N(C)N=C(Br)N=1 |
| Synonyms | 1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)piperidine,
1243250-23-8,
BB_SC-09574,
ZX-CM009302,
BBL032734,
MFCD17078882,
STL146772,
ZINC49584966,
AKOS005747227,
FCH1352114,
MCULE-4419654192,
AJ-111213,
Y-7779,
1-(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)piperidine(SALTDATA,
1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.124g/mol |
| Monoisotopic Mass | 244.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number