Ethyl 7-Boc-5,6,7,8-tetrahydro-1,2,4-triazolo[4,5-a]pyrazine-3-carboxylate - CAS 1215852-11-1
Catalog: |
BB005216 |
Product Name: |
Ethyl 7-Boc-5,6,7,8-tetrahydro-1,2,4-triazolo[4,5-a]pyrazine-3-carboxylate |
CAS: |
1215852-11-1 |
Synonyms: |
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylic acid O7-tert-butyl ester O3-ethyl ester; 7-O-tert-butyl 3-O-ethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylate |
IUPAC Name: | 7-O-tert-butyl 3-O-ethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylate |
Description: | Ethyl 7-Boc-5,6,7,8-tetrahydro-1,2,4-triazolo[4,5-a]pyrazine-3-carboxylate (CAS# 1215852-11-1) is a useful research chemical. |
Molecular Weight: | 296.32 |
Molecular Formula: | C13H20N4O4 |
Canonical SMILES: | CCOC(=O)C1=NN=C2N1CCN(C2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C13H20N4O4/c1-5-20-11(18)10-15-14-9-8-16(6-7-17(9)10)12(19)21-13(2,3)4/h5-8H2,1-4H3 |
InChI Key: | MNWBJXRJIWJHHY-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.14340 |
Publication Number | Title | Priority Date |
WO-2020138499-A1 | Alkyl-substituted compound | 20181228 |
CA-3072923-A1 | Spirocycle compounds and methods of making and using same | 20170829 |
WO-2019046318-A1 | SPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | 20170829 |
EP-3675847-A1 | Spirocycle compounds and methods of making and using same | 20170829 |
JP-2020532545-A | Spiro ring compound and its preparation and usage | 20170829 |
Complexity: | 410 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.14845513 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.14845513 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 86.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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