HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3074635Generated: November 1, 2026
1H,5H-(1,2,4)Triazolo(1,2-a)(1,2,4)triazole-1,5-dione, tetrahydro-2,6-bis(oxiranylmethyl)-3,7-diphenyl-
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Identifiers & Physical Properties
| CAS No. | 160455-72-1 |
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| Molecular formula | C22H22N4O4 |
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| Average molar mass | 406.4 g/mol |
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| Monoisotopic mass | 406.1641052 g/mol |
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| SMILES | O=C1N(CC2CO2)C(c2ccccc2)N2C(=O)N(CC3CO3)C(c3ccccc3)N12 |
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| InChIKey | JNKSXJHURXOFMG-UHFFFAOYSA-N |
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| PubChem CID | 3074635 |
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| DTXSID | DTXSID40936298 |
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Chemical & Physical Properties
| XLogP | 1.6 |
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| Topological polar surface area | 72.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 635 |
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