1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione

C6H4N4O3 — CID 43540305

IUPAC1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2cn[nH]c2)C1=O
InChIInChI=1S/C6H4N4O3/c11-4-5(12)10(6(13)9-4)3-1-7-8-2-3/h1-2H,(H,7,8)(H,9,11,13)
InChIKeyQURYFUPENMJVFV-UHFFFAOYSA-N
MW180.12 g/mol
LogP-1.01
Rot. Bonds1

About 1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione

1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione (PubChem CID 43540305) has the molecular formula C6H4N4O3 and a molecular weight of 180.12 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione
PubChem CID43540305
Molecular FormulaC6H4N4O3
Molecular Weight180.12 g/mol
Exact Mass180.03
IUPAC Name1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2cn[nH]c2)C1=O
InChIInChI=1S/C6H4N4O3/c11-4-5(12)10(6(13)9-4)3-1-7-8-2-3/h1-2H,(H,7,8)(H,9,11,13)
InChIKeyQURYFUPENMJVFV-UHFFFAOYSA-N
XLogP-1.01
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione (CID 43540305) is 1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(c2cn[nH]c2)C1=O.
What is the InChIKey of 1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione?
The InChIKey is QURYFUPENMJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O3/c11-4-5(12)10(6(13)9-4)3-1-7-8-2-3/h1-2H,(H,7,8)(H,9,11,13).
What are the key properties of 1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione?
1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione has a molecular weight of 180.12 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 43540305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).