4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole

C16H23N5 — CID 56710742

IUPAC4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole
SMILESCCc1nccn1CCCn1cc(C2CC=CCC2)nn1
InChIInChI=1S/C16H23N5/c1-2-16-17-9-12-20(16)10-6-11-21-13-15(18-19-21)14-7-4-3-5-8-14/h3-4,9,12-14H,2,5-8,10-11H2,1H3
InChIKeySAEUNFLWXZEHFR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.95
Rot. Bonds6

About 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole

4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole (PubChem CID 56710742) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole
PubChem CID56710742
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole
SMILESCCc1nccn1CCCn1cc(C2CC=CCC2)nn1
InChIInChI=1S/C16H23N5/c1-2-16-17-9-12-20(16)10-6-11-21-13-15(18-19-21)14-7-4-3-5-8-14/h3-4,9,12-14H,2,5-8,10-11H2,1H3
InChIKeySAEUNFLWXZEHFR-UHFFFAOYSA-N
XLogP2.95
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole 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 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole?
The IUPAC name of 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole (CID 56710742) is 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole.
What is the SMILES notation for 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole?
The canonical SMILES for 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole is CCc1nccn1CCCn1cc(C2CC=CCC2)nn1.
What is the InChIKey of 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole?
The InChIKey is SAEUNFLWXZEHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-16-17-9-12-20(16)10-6-11-21-13-15(18-19-21)14-7-4-3-5-8-14/h3-4,9,12-14H,2,5-8,10-11H2,1H3.
What are the key properties of 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole?
4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole has a molecular weight of 285.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yl-1-[3-(2-ethylimidazol-1-yl)propyl]triazole is sourced from PubChem (CID 56710742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).