3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole

C5H8FN3 — CID 89164601

IUPAC3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole
SMILESCCc1n[nH]c(CF)n1
InChIInChI=1S/C5H8FN3/c1-2-4-7-5(3-6)9-8-4/h2-3H2,1H3,(H,7,8,9)
InChIKeyYILWAFWLYDJLGN-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.84
Rot. Bonds2

About 3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole

3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole (PubChem CID 89164601) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole
PubChem CID89164601
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole
SMILESCCc1n[nH]c(CF)n1
InChIInChI=1S/C5H8FN3/c1-2-4-7-5(3-6)9-8-4/h2-3H2,1H3,(H,7,8,9)
InChIKeyYILWAFWLYDJLGN-UHFFFAOYSA-N
XLogP0.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole (CID 89164601) is 3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole is CCc1n[nH]c(CF)n1.
What is the InChIKey of 3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole?
The InChIKey is YILWAFWLYDJLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-2-4-7-5(3-6)9-8-4/h2-3H2,1H3,(H,7,8,9).
What are the key properties of 3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole?
3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole has a molecular weight of 129.14 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(fluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 89164601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).