5-ethyl-1-fluorotriazole

C4H6FN3 — CID 22506918

IUPAC5-ethyl-1-fluorotriazole
SMILESCCc1cnnn1F
InChIInChI=1S/C4H6FN3/c1-2-4-3-6-7-8(4)5/h3H,2H2,1H3
InChIKeyLRFDFBZDTYOBHS-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.57
Rot. Bonds1

About 5-ethyl-1-fluorotriazole

5-ethyl-1-fluorotriazole (PubChem CID 22506918) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 5-ethyl-1-fluorotriazole.

Molecular Properties

Compound Name5-ethyl-1-fluorotriazole
PubChem CID22506918
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name5-ethyl-1-fluorotriazole
SMILESCCc1cnnn1F
InChIInChI=1S/C4H6FN3/c1-2-4-3-6-7-8(4)5/h3H,2H2,1H3
InChIKeyLRFDFBZDTYOBHS-UHFFFAOYSA-N
XLogP0.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-1-fluorotriazole 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 5-ethyl-1-fluorotriazole?
The IUPAC name of 5-ethyl-1-fluorotriazole (CID 22506918) is 5-ethyl-1-fluorotriazole.
What is the SMILES notation for 5-ethyl-1-fluorotriazole?
The canonical SMILES for 5-ethyl-1-fluorotriazole is CCc1cnnn1F.
What is the InChIKey of 5-ethyl-1-fluorotriazole?
The InChIKey is LRFDFBZDTYOBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c1-2-4-3-6-7-8(4)5/h3H,2H2,1H3.
What are the key properties of 5-ethyl-1-fluorotriazole?
5-ethyl-1-fluorotriazole has a molecular weight of 115.11 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-fluorotriazole is sourced from PubChem (CID 22506918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).