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

C8H8FN5O2S — CID 165487647

IUPAC4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCn1c(-c2cnccn2)nnc1S(=O)(=O)F
InChIInChI=1S/C8H8FN5O2S/c1-2-14-7(6-5-10-3-4-11-6)12-13-8(14)17(9,15)16/h3-5H,2H2,1H3
InChIKeyBAUFRSSBCIJUKG-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.41
Rot. Bonds3

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

4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165487647) has the molecular formula C8H8FN5O2S and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165487647
Molecular FormulaC8H8FN5O2S
Molecular Weight257.25 g/mol
Exact Mass257.04
IUPAC Name4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCn1c(-c2cnccn2)nnc1S(=O)(=O)F
InChIInChI=1S/C8H8FN5O2S/c1-2-14-7(6-5-10-3-4-11-6)12-13-8(14)17(9,15)16/h3-5H,2H2,1H3
InChIKeyBAUFRSSBCIJUKG-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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Related Compounds

2-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-pyrazine
CID 655445
(4-Methyl-5-pyrazin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetonitrile
CID 3228117
4-Ethyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869139
2-[5-(2-Methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyrazine
CID 3228114
4-Cyclohexyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869142
3-Pyrazinyl-4,5-dihydro-1,2,4-triazolo[4,3-a]imidazole
CID 129797928
2-[4-Ethyl-5-(2-fluoro-2-methylpropyl)sulfanyl-1,2,4-triazol-3-yl]pyrazine
CID 138014641
4-ethyl-5-(pyrimidin-4-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165607407
4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165869843
2-[4-(2-Methoxyethyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyrazine
CID 3228121
2-(4-Methyl-1,2,4-triazol-3-yl)pyrazine
CID 15455218
2-(4,5-Dimethyl-1,2,4-triazol-3-yl)pyrazine
CID 18726597

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride (CID 165487647) is 4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride is CCn1c(-c2cnccn2)nnc1S(=O)(=O)F.
What is the InChIKey of 4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is BAUFRSSBCIJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O2S/c1-2-14-7(6-5-10-3-4-11-6)12-13-8(14)17(9,15)16/h3-5H,2H2,1H3.
What are the key properties of 4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride?
4-ethyl-5-pyrazin-2-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-pyrazin-2-yl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165487647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).