HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 16747843Generated: October 24, 2026
4-[(3-benzyloxy-4-methoxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole
https://huagongshe.com/en/chemical/16747843
Identifiers & Physical Properties
| Molecular formula | C24H21N5O2 |
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| Average molar mass | 411.5 g/mol |
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| Monoisotopic mass | 411.16952493 g/mol |
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| SMILES | COc1ccc(CN(c2ccc(C#N)cc2)n2cnnc2)cc1OCc1ccccc1 |
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| InChIKey | ISFGXCNQQSTZIP-UHFFFAOYSA-N |
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| PubChem CID | 16747843 |
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Chemical & Physical Properties
| XLogP | 4.2 |
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| Topological polar surface area | 76.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 576 |
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![4-[(3-benzyloxy-4-methoxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole molecular structure](/img/chemical/16747843.png)