7-tert-Butyl 1-Methyl 5,6-dihydroimidazo[1,5-a]pyrazine-1,7(8H)-dicarboxylate - CAS 1094091-44-7
Catalog: |
BB072312 |
Product Name: |
7-tert-Butyl 1-Methyl 5,6-dihydroimidazo[1,5-a]pyrazine-1,7(8H)-dicarboxylate |
CAS: |
1094091-44-7 |
Synonyms: |
7-tert-butyl 1-methyl 5,6-dihydroimidazo[1,5-a]pyrazine-1,7(8H)-dicarboxylate; 7-(tert-Butyl) 1-methyl 5,6-dihydroimidazo[1,5-a]pyrazine-1,7(8H)-dicarboxylate; 7-O-tert-butyl 1-O-methyl 6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate |
IUPAC Name: | 7-O-tert-butyl 1-O-methyl 6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate |
Molecular Weight: | 281.31 |
Molecular Formula: | C13H19N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN2C=NC(=C2C1)C(=O)OC |
InChI: | InChI=1S/C13H19N3O4/c1-13(2,3)20-12(18)15-5-6-16-8-14-10(9(16)7-15)11(17)19-4/h8H,5-7H2,1-4H3 |
InChI Key: | COHNLAMMDXLKQW-UHFFFAOYSA-N |
Complexity: | 394 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.1375561 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.1375561 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 73.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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