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

C3H4FN3O2S — CID 23337874

IUPAC5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride
SMILESCc1nc(S(=O)(=O)F)n[nH]1
InChIInChI=1S/C3H4FN3O2S/c1-2-5-3(7-6-2)10(4,8)9/h1H3,(H,5,6,7)
InChIKeySPGZRFMUIFPNFS-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.23
Rot. Bonds1

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

5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 23337874) has the molecular formula C3H4FN3O2S and a molecular weight of 165.15 g/mol. Its IUPAC name is 5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID23337874
Molecular FormulaC3H4FN3O2S
Molecular Weight165.15 g/mol
Exact Mass165.00
IUPAC Name5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride
SMILESCc1nc(S(=O)(=O)F)n[nH]1
InChIInChI=1S/C3H4FN3O2S/c1-2-5-3(7-6-2)10(4,8)9/h1H3,(H,5,6,7)
InChIKeySPGZRFMUIFPNFS-UHFFFAOYSA-N
XLogP-0.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride (CID 23337874) is 5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride is Cc1nc(S(=O)(=O)F)n[nH]1.
What is the InChIKey of 5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is SPGZRFMUIFPNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3O2S/c1-2-5-3(7-6-2)10(4,8)9/h1H3,(H,5,6,7).
What are the key properties of 5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride?
5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 165.15 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 23337874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).