1,3,4-triethylimidazol-1-ium

C9H17N2+ — CID 87115083

IUPAC1,3,4-triethylimidazol-1-ium
SMILESCCc1c[n+](CC)cn1CC
InChIInChI=1S/C9H17N2/c1-4-9-7-10(5-2)8-11(9)6-3/h7-8H,4-6H2,1-3H3/q+1
InChIKeyFGGYMGOXMKAZGN-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.38
Rot. Bonds3

About 1,3,4-triethylimidazol-1-ium

1,3,4-triethylimidazol-1-ium (PubChem CID 87115083) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 1,3,4-triethylimidazol-1-ium.

Molecular Properties

Compound Name1,3,4-triethylimidazol-1-ium
PubChem CID87115083
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name1,3,4-triethylimidazol-1-ium
SMILESCCc1c[n+](CC)cn1CC
InChIInChI=1S/C9H17N2/c1-4-9-7-10(5-2)8-11(9)6-3/h7-8H,4-6H2,1-3H3/q+1
InChIKeyFGGYMGOXMKAZGN-UHFFFAOYSA-N
XLogP1.38
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,3,4-triethylimidazol-1-ium 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 1,3,4-triethylimidazol-1-ium?
The IUPAC name of 1,3,4-triethylimidazol-1-ium (CID 87115083) is 1,3,4-triethylimidazol-1-ium.
What is the SMILES notation for 1,3,4-triethylimidazol-1-ium?
The canonical SMILES for 1,3,4-triethylimidazol-1-ium is CCc1c[n+](CC)cn1CC.
What is the InChIKey of 1,3,4-triethylimidazol-1-ium?
The InChIKey is FGGYMGOXMKAZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-4-9-7-10(5-2)8-11(9)6-3/h7-8H,4-6H2,1-3H3/q+1.
What are the key properties of 1,3,4-triethylimidazol-1-ium?
1,3,4-triethylimidazol-1-ium has a molecular weight of 153.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-triethylimidazol-1-ium is sourced from PubChem (CID 87115083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).