1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C7H9FN4O3S — CID 168714654

IUPAC1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1nc(N2CC(S(=O)(=O)F)CC2=O)n[nH]1
InChIInChI=1S/C7H9FN4O3S/c1-4-9-7(11-10-4)12-3-5(2-6(12)13)16(8,14)15/h5H,2-3H2,1H3,(H,9,10,11)
InChIKeyLFHPSMAFOQGRMA-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.48
Rot. Bonds2

About 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714654) has the molecular formula C7H9FN4O3S and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714654
Molecular FormulaC7H9FN4O3S
Molecular Weight248.24 g/mol
Exact Mass248.04
IUPAC Name1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1nc(N2CC(S(=O)(=O)F)CC2=O)n[nH]1
InChIInChI=1S/C7H9FN4O3S/c1-4-9-7(11-10-4)12-3-5(2-6(12)13)16(8,14)15/h5H,2-3H2,1H3,(H,9,10,11)
InChIKeyLFHPSMAFOQGRMA-UHFFFAOYSA-N
XLogP-0.48
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
CID 168714000
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714641
1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714658
5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide
CID 168719652
5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716296
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716309
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714455
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714553
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(6-amino-4-sulfanylidene-1H-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716227
1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714555

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714654) is 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1nc(N2CC(S(=O)(=O)F)CC2=O)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is LFHPSMAFOQGRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4O3S/c1-4-9-7(11-10-4)12-3-5(2-6(12)13)16(8,14)15/h5H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 248.24 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).