HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58772839Generated: October 27, 2026
7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
https://huagongshe.com/en/chemical/58772839
Identifiers & Physical Properties
| Molecular formula | C18H11ClF3N5O |
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| Average molar mass | 405.8 g/mol |
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| SMILES | O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)ncn12 |
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| InChIKey | WDACDHSDVPOCJN-UHFFFAOYSA-N |
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| PubChem CID | 58772839 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 61.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 714 |
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![7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one molecular structure](/img/chemical/58772839.png)