1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one - CAS 6969-71-7
Catalog: |
BB033933 |
Product Name: |
1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one |
CAS: |
6969-71-7 |
Synonyms: |
Trazodone Impurity K; Triazolopyridinone; [1,2,4]triazolo[4,3-a]pyridin-3-ol |
IUPAC Name: | 2H-[1,2,4]triazolo[4,3-a]pyridin-3-one |
Description: | One of the impurities of Trazodone, which has been found to be effective as an antidepressant agent. |
Molecular Weight: | 135.12 |
Molecular Formula: | C6H5N3O |
Canonical SMILES: | C1=CC2=NNC(=O)N2C=C1 |
InChI: | InChI=1S/C6H5N3O/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H,(H,8,10) |
InChI Key: | LJRXNXBFJXXRNQ-UHFFFAOYSA-N |
Melting Point: | 231 °C |
Density: | 1.51±0.1 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly, Heated, Sonicated) |
Appearance: | Beige Solid |
Storage: | Store at 2-8 °C |
MDL: | MFCD00022632 |
LogP: | 0.02260 |
GHS Hazard Statement: | H315 (76.39%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021121282-A1 | Preparation and application of class of n-containing heterocyclic compounds with immunomodulatory function | 20191217 |
US-2020223844-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
WO-2020024997-A1 | Preparation and application of class of n-containing heterocyclic compounds having immunoregulatory function | 20180801 |
EP-3831824-A1 | Preparation and application of class of n-containing heterocyclic compounds having immunoregulatory function | 20180801 |
WO-2019154770-A1 | Continuous process for the preparation of trazodone | 20180207 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.043261791 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.043261791 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 44.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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