| CAS Number | 1822505-48-5 |
| Catalog Number | AG00I164(AGN-PC-0WQY6T) |
| Chemical Name | 7-Tert-Butyl 5-Ethyl 5,6-Dihydroimidazo[1,5-A]Pyrazine-5,7(8H)-Dicarboxylate |
| IUPAC Name | 7-O-tert-butyl 5-O-ethyl 6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5,7-dicarboxylate |
| InChI | InChI=1S/C14H21N3O4/c1-5-20-12(18)11-8-16(13(19)21-14(2,3)4)7-10-6-15-9-17(10)11/h6,9,11H,5,7-8H2,1-4H3 |
| InChI Key | BBMMJMZFMAYRCU-UHFFFAOYSA-N |
| MDL Number | MFCD28119021 |
| Molecular Formula | C14H21N3O4 |
| Molecular Weight | 295.3342 |
| SMILES | CCOC(=O)C1CN(Cc2n1cnc2)C(=O)OC(C)(C)C |
| Synonyms | 7-tert-Butyl 5-ethyl 5,6-dihydroimidazo[1,5-a]pyrazine-5,7(8H)-dicarboxylate,
1822505-48-5,
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| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.339g/mol |
| Monoisotopic Mass | 295.153g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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