5-Oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxylic Acid - CAS 4538-16-3
Catalog: |
BB058413 |
Product Name: |
5-Oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxylic Acid |
CAS: |
4538-16-3 |
Synonyms: |
2,5-Dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylic Acid; 5-Hydroxy-1,2,4-triazole-3-carboxylic Acid; 5-Hydroxy-4H-1,2,4-triazole-3-carboxylic Acid; 5-Oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic Acid |
IUPAC Name: | 5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxylic acid |
Description: | 5-Oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxylic Acid is used in preparation of the fused tri-cyclic compound as pde3/pde4 dual inhibitor. |
Molecular Weight: | 129.07 |
Molecular Formula: | C3H3N3O3 |
Canonical SMILES: | C1(=NNC(=O)N1)C(=O)O |
InChI: | InChI=1S/C3H3N3O3/c7-2(8)1-4-3(9)6-5-1/h(H,7,8)(H2,4,5,6,9) |
InChI Key: | KNSPHEMRHVERJM-UHFFFAOYSA-N |
References: | Chen, S., et al. PCT Int. Appl., (2020). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021323960-A1 | Fused tri-cyclic compound as pde3/pde4 dual inhibitor | 20180713 |
KR-20190084954-A | 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH | 20161027 |
BR-102015024618-A2 | tank binding kinase inhibitor compounds | 20140926 |
CA-2962578-A1 | Aminotriazine derivatives useful as tank-binding kinase inhibitor compounds | 20140926 |
CN-106715419-A | Aminotriazine derivatives useful as TANK-binding kinase inhibitor compounds | 20140926 |
EP-3197884-B1 | Aminotriazine derivatives useful as tank-binding kinase inhibitor compounds | 20140926 |
EP-3517536-A1 | Aminotriazine derivatives useful as tank-binding kinase inhibitor compounds | 20140926 |
ES-2727376-T3 | Aminotriazine derivatives useful as TANK binding kinase inhibitor compounds | 20140926 |
JP-2017529373-A | Aminotriazine derivatives useful as TANK binding kinase inhibitor compounds | 20140926 |
JP-6499282-B2 | Aminotriazine derivatives useful as TANK binding kinase inhibitor compounds | 20140926 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.01744097 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.01744097 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 90.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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