4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride

C6H10FN3O2S — CID 165466291

IUPAC4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCc1nnc(S(=O)(=O)F)n1CC
InChIInChI=1S/C6H10FN3O2S/c1-3-5-8-9-6(10(5)4-2)13(7,11)12/h3-4H2,1-2H3
InChIKeyHOUONPXTYDKHRF-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.52
Rot. Bonds3

About 4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride

4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165466291) has the molecular formula C6H10FN3O2S and a molecular weight of 207.23 g/mol. Its IUPAC name is 4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165466291
Molecular FormulaC6H10FN3O2S
Molecular Weight207.23 g/mol
Exact Mass207.05
IUPAC Name4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCc1nnc(S(=O)(=O)F)n1CC
InChIInChI=1S/C6H10FN3O2S/c1-3-5-8-9-6(10(5)4-2)13(7,11)12/h3-4H2,1-2H3
InChIKeyHOUONPXTYDKHRF-UHFFFAOYSA-N
XLogP0.52
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride (CID 165466291) is 4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride is CCc1nnc(S(=O)(=O)F)n1CC.
What is the InChIKey of 4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is HOUONPXTYDKHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O2S/c1-3-5-8-9-6(10(5)4-2)13(7,11)12/h3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride?
4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 207.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165466291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).