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

C6H10FN3 — CID 167246003

IUPAC5-ethyl-1-(2-fluoroethyl)triazole
SMILESCCc1cnnn1CCF
InChIInChI=1S/C6H10FN3/c1-2-6-5-8-9-10(6)4-3-7/h5H,2-4H2,1H3
InChIKeyKIMQUAZJNWXQLV-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.81
Rot. Bonds3

About 5-ethyl-1-(2-fluoroethyl)triazole

5-ethyl-1-(2-fluoroethyl)triazole (PubChem CID 167246003) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 5-ethyl-1-(2-fluoroethyl)triazole.

Molecular Properties

Compound Name5-ethyl-1-(2-fluoroethyl)triazole
PubChem CID167246003
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name5-ethyl-1-(2-fluoroethyl)triazole
SMILESCCc1cnnn1CCF
InChIInChI=1S/C6H10FN3/c1-2-6-5-8-9-10(6)4-3-7/h5H,2-4H2,1H3
InChIKeyKIMQUAZJNWXQLV-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 5-ethyl-1-(2-fluoroethyl)triazole?
The IUPAC name of 5-ethyl-1-(2-fluoroethyl)triazole (CID 167246003) is 5-ethyl-1-(2-fluoroethyl)triazole.
What is the SMILES notation for 5-ethyl-1-(2-fluoroethyl)triazole?
The canonical SMILES for 5-ethyl-1-(2-fluoroethyl)triazole is CCc1cnnn1CCF.
What is the InChIKey of 5-ethyl-1-(2-fluoroethyl)triazole?
The InChIKey is KIMQUAZJNWXQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-2-6-5-8-9-10(6)4-3-7/h5H,2-4H2,1H3.
What are the key properties of 5-ethyl-1-(2-fluoroethyl)triazole?
5-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 5-ethyl-1-(2-fluoroethyl)triazole is sourced from PubChem (CID 167246003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).