3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione

C8H11N5O2 — CID 63316060

IUPAC3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione
SMILESNc1ccn(CCN2C(=O)CNC2=O)n1
InChIInChI=1S/C8H11N5O2/c9-6-1-2-12(11-6)3-4-13-7(14)5-10-8(13)15/h1-2H,3-5H2,(H2,9,11)(H,10,15)
InChIKeyHLBKAUFDGIOKJE-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.98
Rot. Bonds3

About 3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione

3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 63316060) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID63316060
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione
SMILESNc1ccn(CCN2C(=O)CNC2=O)n1
InChIInChI=1S/C8H11N5O2/c9-6-1-2-12(11-6)3-4-13-7(14)5-10-8(13)15/h1-2H,3-5H2,(H2,9,11)(H,10,15)
InChIKeyHLBKAUFDGIOKJE-UHFFFAOYSA-N
XLogP-0.98
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione (CID 63316060) is 3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione is Nc1ccn(CCN2C(=O)CNC2=O)n1.
What is the InChIKey of 3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is HLBKAUFDGIOKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-6-1-2-12(11-6)3-4-13-7(14)5-10-8(13)15/h1-2H,3-5H2,(H2,9,11)(H,10,15).
What are the key properties of 3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 209.21 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 63316060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).