3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione

C15H21N5O2 — CID 167843248

IUPAC3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(c2ncn(C3CCCCC3)n2)C1=O
InChIInChI=1S/C15H21N5O2/c1-15(10-7-8-10)12(21)20(14(22)17-15)13-16-9-19(18-13)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,17,22)
InChIKeyOMVSOFPOSPGLKE-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.01
Rot. Bonds3

About 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione

3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 167843248) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID167843248
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(c2ncn(C3CCCCC3)n2)C1=O
InChIInChI=1S/C15H21N5O2/c1-15(10-7-8-10)12(21)20(14(22)17-15)13-16-9-19(18-13)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,17,22)
InChIKeyOMVSOFPOSPGLKE-UHFFFAOYSA-N
XLogP2.01
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 167843248) is 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione is CC1(C2CC2)NC(=O)N(c2ncn(C3CCCCC3)n2)C1=O.
What is the InChIKey of 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is OMVSOFPOSPGLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(10-7-8-10)12(21)20(14(22)17-15)13-16-9-19(18-13)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,17,22).
What are the key properties of 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 303.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 167843248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).