4-ethyl-5-fluoro-1-methyltriazole

C5H8FN3 — CID 69382500

IUPAC4-ethyl-5-fluoro-1-methyltriazole
SMILESCCc1nnn(C)c1F
InChIInChI=1S/C5H8FN3/c1-3-4-5(6)9(2)8-7-4/h3H2,1-2H3
InChIKeyBDUAMZRWGQASSY-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.52
Rot. Bonds1

About 4-ethyl-5-fluoro-1-methyltriazole

4-ethyl-5-fluoro-1-methyltriazole (PubChem CID 69382500) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1-methyltriazole.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1-methyltriazole
PubChem CID69382500
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name4-ethyl-5-fluoro-1-methyltriazole
SMILESCCc1nnn(C)c1F
InChIInChI=1S/C5H8FN3/c1-3-4-5(6)9(2)8-7-4/h3H2,1-2H3
InChIKeyBDUAMZRWGQASSY-UHFFFAOYSA-N
XLogP0.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1-methyltriazole?
The IUPAC name of 4-ethyl-5-fluoro-1-methyltriazole (CID 69382500) is 4-ethyl-5-fluoro-1-methyltriazole.
What is the SMILES notation for 4-ethyl-5-fluoro-1-methyltriazole?
The canonical SMILES for 4-ethyl-5-fluoro-1-methyltriazole is CCc1nnn(C)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-1-methyltriazole?
The InChIKey is BDUAMZRWGQASSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-3-4-5(6)9(2)8-7-4/h3H2,1-2H3.
What are the key properties of 4-ethyl-5-fluoro-1-methyltriazole?
4-ethyl-5-fluoro-1-methyltriazole has a molecular weight of 129.14 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1-methyltriazole is sourced from PubChem (CID 69382500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).