HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69918506Generated: November 4, 2026
7-Amino-4-(3-phenylprop-2-enyl)-1-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
https://huagongshe.com/en/chemical/69918506
Identifiers & Physical Properties
| Molecular formula | C22H22N6O |
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| Average molar mass | 386.4 g/mol |
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| Monoisotopic mass | 386.18550935 g/mol |
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| SMILES | Nc1ccc2c(c1)c(=O)n(CC=Cc1ccccc1)c1nnc(N3CCCC3)n21 |
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| InChIKey | CNKDXZFYYSETSE-UHFFFAOYSA-N |
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| PubChem CID | 69918506 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 80.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 614 |
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![7-Amino-4-(3-phenylprop-2-enyl)-1-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one molecular structure](/img/chemical/69918506.png)