3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

C16H16N6O3 — CID 121159881

IUPAC3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C16H16N6O3/c23-14-9-17-16(25)21(14)12-6-7-20(10-12)15(24)13-8-18-22(19-13)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H,17,25)
InChIKeyWZMCHSIYPVAEMU-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.03
Rot. Bonds3

About 3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159881) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159881
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C16H16N6O3/c23-14-9-17-16(25)21(14)12-6-7-20(10-12)15(24)13-8-18-22(19-13)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H,17,25)
InChIKeyWZMCHSIYPVAEMU-UHFFFAOYSA-N
XLogP0.03
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159881) is 3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C(c1cnn(-c2ccccc2)n1)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is WZMCHSIYPVAEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c23-14-9-17-16(25)21(14)12-6-7-20(10-12)15(24)13-8-18-22(19-13)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H,17,25).
What are the key properties of 3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 340.34 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).