1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride

C3H4FN3O2S — CID 54247188

IUPAC1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1ncn[nH]1
InChIInChI=1S/C3H4FN3O2S/c4-10(8,9)1-3-5-2-6-7-3/h2H,1H2,(H,5,6,7)
InChIKeyQUCFDFKEPNMJDN-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.40
Rot. Bonds2

About 1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride

1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride (PubChem CID 54247188) has the molecular formula C3H4FN3O2S and a molecular weight of 165.15 g/mol. Its IUPAC name is 1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride
PubChem CID54247188
Molecular FormulaC3H4FN3O2S
Molecular Weight165.15 g/mol
Exact Mass165.00
IUPAC Name1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1ncn[nH]1
InChIInChI=1S/C3H4FN3O2S/c4-10(8,9)1-3-5-2-6-7-3/h2H,1H2,(H,5,6,7)
InChIKeyQUCFDFKEPNMJDN-UHFFFAOYSA-N
XLogP-0.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride?
The IUPAC name of 1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride (CID 54247188) is 1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride.
What is the SMILES notation for 1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride?
The canonical SMILES for 1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride is O=S(=O)(F)Cc1ncn[nH]1.
What is the InChIKey of 1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride?
The InChIKey is QUCFDFKEPNMJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3O2S/c4-10(8,9)1-3-5-2-6-7-3/h2H,1H2,(H,5,6,7).
What are the key properties of 1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride?
1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride has a molecular weight of 165.15 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazol-5-ylmethanesulfonyl fluoride is sourced from PubChem (CID 54247188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).