| CAS Number | 1422344-42-0 |
| Catalog Number | AG00HWF8(AGN-PC-0WG4QN) |
| Chemical Name | tert-Butyl 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H21BrN4O2/c1-16(2,3)23-15(22)20-8-6-11(7-9-20)14-18-13-5-4-12(17)10-21(13)19-14/h4-5,10-11H,6-9H2,1-3H3 |
| InChI Key | ZALKELBAEIONDI-UHFFFAOYSA-N |
| MDL Number | MFCD23378329 |
| Molecular Formula | C16H21BrN4O2 |
| Molecular Weight | 381.2675 |
| SMILES | O=C(N1CCC(C2=NN3C=C(Br)C=CC3=N2)CC1)OC(C)(C)C |
| Synonyms | tert-Butyl 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate,
1422344-42-0,
MFCD23378329,
AKOS027429908,
ZINC306144255,
CS-0037381,
t-Butyl 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate,
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| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.274g/mol |
| Monoisotopic Mass | 380.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number