5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride

C5H6FN3O2S — CID 23337868

IUPAC5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C5H6FN3O2S/c6-12(10,11)5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H,7,8,9)
InChIKeyIYJGNDUQHRNHRE-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.34
Rot. Bonds2

About 5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride

5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 23337868) has the molecular formula C5H6FN3O2S and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID23337868
Molecular FormulaC5H6FN3O2S
Molecular Weight191.19 g/mol
Exact Mass191.02
IUPAC Name5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C5H6FN3O2S/c6-12(10,11)5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H,7,8,9)
InChIKeyIYJGNDUQHRNHRE-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride (CID 23337868) is 5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride is O=S(=O)(F)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is IYJGNDUQHRNHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O2S/c6-12(10,11)5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H,7,8,9).
What are the key properties of 5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride?
5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 191.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1H-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 23337868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).