5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride

C5H8FN3O2S — CID 165462955

IUPAC5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCc1nnc(S(=O)(=O)F)n1C
InChIInChI=1S/C5H8FN3O2S/c1-3-4-7-8-5(9(4)2)12(6,10)11/h3H2,1-2H3
InChIKeyQUDINELSAKIVIG-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.04
Rot. Bonds2

About 5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride

5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165462955) has the molecular formula C5H8FN3O2S and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165462955
Molecular FormulaC5H8FN3O2S
Molecular Weight193.20 g/mol
Exact Mass193.03
IUPAC Name5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCc1nnc(S(=O)(=O)F)n1C
InChIInChI=1S/C5H8FN3O2S/c1-3-4-7-8-5(9(4)2)12(6,10)11/h3H2,1-2H3
InChIKeyQUDINELSAKIVIG-UHFFFAOYSA-N
XLogP0.04
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride (CID 165462955) is 5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride is CCc1nnc(S(=O)(=O)F)n1C.
What is the InChIKey of 5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is QUDINELSAKIVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O2S/c1-3-4-7-8-5(9(4)2)12(6,10)11/h3H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride?
5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 193.20 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165462955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).