4-ethyl-1-(2-fluoroethyl)triazole

C6H10FN3 — CID 58251782

IUPAC4-ethyl-1-(2-fluoroethyl)triazole
SMILESCCc1cn(CCF)nn1
InChIInChI=1S/C6H10FN3/c1-2-6-5-10(4-3-7)9-8-6/h5H,2-4H2,1H3
InChIKeyMGRQYZGNDYXPOC-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.81
Rot. Bonds3

About 4-ethyl-1-(2-fluoroethyl)triazole

4-ethyl-1-(2-fluoroethyl)triazole (PubChem CID 58251782) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 4-ethyl-1-(2-fluoroethyl)triazole.

Molecular Properties

Compound Name4-ethyl-1-(2-fluoroethyl)triazole
PubChem CID58251782
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name4-ethyl-1-(2-fluoroethyl)triazole
SMILESCCc1cn(CCF)nn1
InChIInChI=1S/C6H10FN3/c1-2-6-5-10(4-3-7)9-8-6/h5H,2-4H2,1H3
InChIKeyMGRQYZGNDYXPOC-UHFFFAOYSA-N
XLogP0.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-fluoroethyl)triazole?
The IUPAC name of 4-ethyl-1-(2-fluoroethyl)triazole (CID 58251782) is 4-ethyl-1-(2-fluoroethyl)triazole.
What is the SMILES notation for 4-ethyl-1-(2-fluoroethyl)triazole?
The canonical SMILES for 4-ethyl-1-(2-fluoroethyl)triazole is CCc1cn(CCF)nn1.
What is the InChIKey of 4-ethyl-1-(2-fluoroethyl)triazole?
The InChIKey is MGRQYZGNDYXPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-2-6-5-10(4-3-7)9-8-6/h5H,2-4H2,1H3.
What are the key properties of 4-ethyl-1-(2-fluoroethyl)triazole?
4-ethyl-1-(2-fluoroethyl)triazole has a molecular weight of 143.16 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-fluoroethyl)triazole is sourced from PubChem (CID 58251782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).