About 1-aminopyrazolidine-3,5-dione
1-aminopyrazolidine-3,5-dione (PubChem CID 166990568) has the molecular formula C3H5N3O2
and a molecular weight of 115.09 g/mol. Its IUPAC name is 1-aminopyrazolidine-3,5-dione.
Molecular Properties
| Compound Name | 1-aminopyrazolidine-3,5-dione |
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| PubChem CID | 166990568 |
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| Molecular Formula | C3H5N3O2 |
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| Molecular Weight | 115.09 g/mol |
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| Exact Mass | 115.04 |
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| IUPAC Name | 1-aminopyrazolidine-3,5-dione |
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| SMILES | NN1NC(=O)CC1=O |
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| InChI | InChI=1S/C3H5N3O2/c4-6-3(8)1-2(7)5-6/h1,4H2,(H,5,7) |
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| InChIKey | CJSSFANODAKSAY-UHFFFAOYSA-N |
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| XLogP | -1.88 |
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| TPSA | 75.43 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 115.09 |
| LogP ≤ 5 | -1.88 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-aminopyrazolidine-3,5-dione?
The IUPAC name of 1-aminopyrazolidine-3,5-dione (CID 166990568) is 1-aminopyrazolidine-3,5-dione.
What is the SMILES notation for 1-aminopyrazolidine-3,5-dione?
The canonical SMILES for 1-aminopyrazolidine-3,5-dione is NN1NC(=O)CC1=O.
What is the InChIKey of 1-aminopyrazolidine-3,5-dione?
The InChIKey is CJSSFANODAKSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c4-6-3(8)1-2(7)5-6/h1,4H2,(H,5,7).
What are the key properties of 1-aminopyrazolidine-3,5-dione?
1-aminopyrazolidine-3,5-dione has a molecular weight of 115.09 g/mol, XLogP of -1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopyrazolidine-3,5-dione is sourced from PubChem (CID 166990568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).