Ethyl 5,6,7,8-Tetrahydro-1,2,4-triazolo[4,3-a]pyrazine-3-carboxylate - CAS 723286-68-8
Catalog: |
BB034600 |
Product Name: |
Ethyl 5,6,7,8-Tetrahydro-1,2,4-triazolo[4,3-a]pyrazine-3-carboxylate |
CAS: |
723286-68-8 |
Synonyms: |
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid ethyl ester; ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate |
IUPAC Name: | ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate |
Description: | Ethyl 5,6,7,8-Tetrahydro-1,2,4-triazolo[4,3-a]pyrazine-3-carboxylate (CAS# 723286-68-8) is a useful research chemical. |
Molecular Weight: | 196.21 |
Molecular Formula: | C8H12N4O2 |
Canonical SMILES: | CCOC(=O)C1=NN=C2N1CCNC2 |
InChI: | InChI=1S/C8H12N4O2/c1-2-14-8(13)7-11-10-6-5-9-3-4-12(6)7/h9H,2-5H2,1H3 |
InChI Key: | LTINTLJABVYOMC-UHFFFAOYSA-N |
Boiling Point: | 389.2 ℃ at 760 mmHg |
Density: | 1.48 g/cm3 |
MDL: | MFCD08273912 |
LogP: | -0.11320 |
Publication Number | Title | Priority Date |
CA-3072923-A1 | Spirocycle compounds and methods of making and using same | 20170829 |
KR-20200046061-A | Spirocycle compounds and methods of making and using them | 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: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.09602564 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.09602564 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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