5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride

C7H7FN4O3S — CID 168716296

IUPAC5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1nccnn1
InChIInChI=1S/C7H7FN4O3S/c8-16(14,15)5-3-6(13)12(4-5)7-9-1-2-10-11-7/h1-2,5H,3-4H2
InChIKeyCHGZWOLNELNODZ-UHFFFAOYSA-N
MW246.22 g/mol
LogP-0.72
Rot. Bonds2

About 5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168716296) has the molecular formula C7H7FN4O3S and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168716296
Molecular FormulaC7H7FN4O3S
Molecular Weight246.22 g/mol
Exact Mass246.02
IUPAC Name5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1nccnn1
InChIInChI=1S/C7H7FN4O3S/c8-16(14,15)5-3-6(13)12(4-5)7-9-1-2-10-11-7/h1-2,5H,3-4H2
InChIKeyCHGZWOLNELNODZ-UHFFFAOYSA-N
XLogP-0.72
TPSA93.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 168716292
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
5-oxo-1-pyrimidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168716305
5-oxo-1-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716295
1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714555
1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714658
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714654
1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715532
1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715519
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715472

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride (CID 168716296) is 5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1nccnn1.
What is the InChIKey of 5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is CHGZWOLNELNODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4O3S/c8-16(14,15)5-3-6(13)12(4-5)7-9-1-2-10-11-7/h1-2,5H,3-4H2.
What are the key properties of 5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 246.22 g/mol, XLogP of -0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).