4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride

C8H8FN5O2S — CID 165488332

IUPAC4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCn1c(-c2ccnnc2)nnc1S(=O)(=O)F
InChIInChI=1S/C8H8FN5O2S/c1-2-14-7(6-3-4-10-11-5-6)12-13-8(14)17(9,15)16/h3-5H,2H2,1H3
InChIKeyAMFJRSILDGZTBM-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.41
Rot. Bonds3

About 4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride

4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165488332) has the molecular formula C8H8FN5O2S and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165488332
Molecular FormulaC8H8FN5O2S
Molecular Weight257.25 g/mol
Exact Mass257.04
IUPAC Name4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCn1c(-c2ccnnc2)nnc1S(=O)(=O)F
InChIInChI=1S/C8H8FN5O2S/c1-2-14-7(6-3-4-10-11-5-6)12-13-8(14)17(9,15)16/h3-5H,2H2,1H3
InChIKeyAMFJRSILDGZTBM-UHFFFAOYSA-N
XLogP0.41
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride (CID 165488332) is 4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride is CCn1c(-c2ccnnc2)nnc1S(=O)(=O)F.
What is the InChIKey of 4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is AMFJRSILDGZTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O2S/c1-2-14-7(6-3-4-10-11-5-6)12-13-8(14)17(9,15)16/h3-5H,2H2,1H3.
What are the key properties of 4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride?
4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 257.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-pyridazin-4-yl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165488332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).