4-aminopyrazolidine-3,5-dione

C3H5N3O2 — CID 82647065

IUPAC4-aminopyrazolidine-3,5-dione
SMILESNC1C(=O)NNC1=O
InChIInChI=1S/C3H5N3O2/c4-1-2(7)5-6-3(1)8/h1H,4H2,(H,5,7)(H,6,8)
InChIKeyFSLILBFOBYYBFQ-UHFFFAOYSA-N
MW115.09 g/mol
LogP-2.53
Rot. Bonds

About 4-aminopyrazolidine-3,5-dione

4-aminopyrazolidine-3,5-dione (PubChem CID 82647065) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is 4-aminopyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-aminopyrazolidine-3,5-dione
PubChem CID82647065
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name4-aminopyrazolidine-3,5-dione
SMILESNC1C(=O)NNC1=O
InChIInChI=1S/C3H5N3O2/c4-1-2(7)5-6-3(1)8/h1H,4H2,(H,5,7)(H,6,8)
InChIKeyFSLILBFOBYYBFQ-UHFFFAOYSA-N
XLogP-2.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-2.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminopyrazolidine-3,5-dione?
The IUPAC name of 4-aminopyrazolidine-3,5-dione (CID 82647065) is 4-aminopyrazolidine-3,5-dione.
What is the SMILES notation for 4-aminopyrazolidine-3,5-dione?
The canonical SMILES for 4-aminopyrazolidine-3,5-dione is NC1C(=O)NNC1=O.
What is the InChIKey of 4-aminopyrazolidine-3,5-dione?
The InChIKey is FSLILBFOBYYBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c4-1-2(7)5-6-3(1)8/h1H,4H2,(H,5,7)(H,6,8).
What are the key properties of 4-aminopyrazolidine-3,5-dione?
4-aminopyrazolidine-3,5-dione has a molecular weight of 115.09 g/mol, XLogP of -2.53, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyrazolidine-3,5-dione is sourced from PubChem (CID 82647065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).