1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione

C9H7N3O3 — CID 79043323

IUPAC1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione
SMILESCc1ncccc1N1C(=O)NC(=O)C1=O
InChIInChI=1S/C9H7N3O3/c1-5-6(3-2-4-10-5)12-8(14)7(13)11-9(12)15/h2-4H,1H3,(H,11,13,15)
InChIKeyLZWSHRXMEUZSRA-UHFFFAOYSA-N
MW205.17 g/mol
LogP-0.03
Rot. Bonds1

About 1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione

1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione (PubChem CID 79043323) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione
PubChem CID79043323
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione
SMILESCc1ncccc1N1C(=O)NC(=O)C1=O
InChIInChI=1S/C9H7N3O3/c1-5-6(3-2-4-10-5)12-8(14)7(13)11-9(12)15/h2-4H,1H3,(H,11,13,15)
InChIKeyLZWSHRXMEUZSRA-UHFFFAOYSA-N
XLogP-0.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
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-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione (CID 79043323) is 1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione is Cc1ncccc1N1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione?
The InChIKey is LZWSHRXMEUZSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-5-6(3-2-4-10-5)12-8(14)7(13)11-9(12)15/h2-4H,1H3,(H,11,13,15).
What are the key properties of 1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione?
1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione has a molecular weight of 205.17 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyridinyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 79043323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).