HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57770739Generated: October 27, 2026
3-(5-Isopropyl-[1,2,4]triazol-1-yl)-5-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester
https://huagongshe.com/en/chemical/57770739
Identifiers & Physical Properties
| Molecular formula | C19H20N4O2 |
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| Average molar mass | 336.4 g/mol |
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| Monoisotopic mass | 336.15862589 g/mol |
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| SMILES | COC(=O)c1cc(-c2ccc(C)cn2)cc(-n2ncnc2C(C)C)c1 |
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| InChIKey | OPWUSUUWYOFJKM-UHFFFAOYSA-N |
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| PubChem CID | 57770739 |
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Chemical & Physical Properties
| XLogP | 3.6 |
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| Topological polar surface area | 69.9 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 25 |
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| Formal charge | 0 |
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| Complexity | 459 |
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![3-(5-Isopropyl-[1,2,4]triazol-1-yl)-5-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester molecular structure](/img/chemical/57770739.png)