5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride

C4H6FN3O3S — CID 23337871

IUPAC5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride
SMILESCOCc1nc(S(=O)(=O)F)n[nH]1
InChIInChI=1S/C4H6FN3O3S/c1-11-2-3-6-4(8-7-3)12(5,9)10/h2H2,1H3,(H,6,7,8)
InChIKeyFHGIDDIMYBTILR-UHFFFAOYSA-N
MW195.17 g/mol
LogP-0.39
Rot. Bonds3

About 5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride

5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 23337871) has the molecular formula C4H6FN3O3S and a molecular weight of 195.17 g/mol. Its IUPAC name is 5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID23337871
Molecular FormulaC4H6FN3O3S
Molecular Weight195.17 g/mol
Exact Mass195.01
IUPAC Name5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride
SMILESCOCc1nc(S(=O)(=O)F)n[nH]1
InChIInChI=1S/C4H6FN3O3S/c1-11-2-3-6-4(8-7-3)12(5,9)10/h2H2,1H3,(H,6,7,8)
InChIKeyFHGIDDIMYBTILR-UHFFFAOYSA-N
XLogP-0.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride (CID 23337871) is 5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride is COCc1nc(S(=O)(=O)F)n[nH]1.
What is the InChIKey of 5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is FHGIDDIMYBTILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3O3S/c1-11-2-3-6-4(8-7-3)12(5,9)10/h2H2,1H3,(H,6,7,8).
What are the key properties of 5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 195.17 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 23337871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).