| CAS Number | 2177264-17-2 |
| Catalog Number | AG01FLEP(AGN-PC-3H4B4E) |
| Chemical Name | tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C15H19BrN4O2/c1-15(2,3)22-14(21)19-7-6-10(8-19)13-17-12-5-4-11(16)9-20(12)18-13/h4-5,9-10H,6-8H2,1-3H3 |
| InChI Key | MTAGOQUMDDZVRP-UHFFFAOYSA-N |
| MDL Number | MFCD31731559 |
| Molecular Formula | C15H19BrN4O2 |
| Molecular Weight | 367.2410 |
| SMILES | Brc1ccc2n(c1)nc(n2)C1CCN(C1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate,
CS-0080090,
2177264-17-2,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.06914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.24g/mol |
| Monoisotopic Mass | 366.06914g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.7Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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