8-Chloro-1,2,4-triazolo[4,3-a]pyrazine - CAS 68774-77-6
Catalog: |
BB033630 |
Product Name: |
8-Chloro-1,2,4-triazolo[4,3-a]pyrazine |
CAS: |
68774-77-6 |
Synonyms: |
8-chloro-[1,2,4]triazolo[4,3-a]pyrazine |
IUPAC Name: | 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine |
Description: | 8-Chloro-1,2,4-triazolo[4,3-a]pyrazine (CAS# 68774-77-6) is a useful research chemical. |
Molecular Weight: | 154.56 |
Molecular Formula: | C5H3ClN4 |
Canonical SMILES: | C1=CN2C=NN=C2C(=N1)Cl |
InChI: | InChI=1S/C5H3ClN4/c6-4-5-9-8-3-10(5)2-1-7-4/h1-3H |
InChI Key: | VKZJRJVVFDDJKP-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.716 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08272086 |
LogP: | 0.77770 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021058595-A1 | Herbicidal compounds | 20190924 |
WO-2020163193-A1 | Bicyclic ether o-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors | 20190204 |
TW-202045501-A | Bicyclic ether o-glycoprotein-2-acetamido-2-de oxy-3-d-glucopyranosidase inhibitors | 20190204 |
TW-201927756-A | Integrating stress pathway regulator | 20171102 |
EP-3710428-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0046238 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0046238 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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