5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C5H4FN5O2S — CID 140993684

IUPAC5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESNS(=O)(=O)c1nc2ccnc(F)n2n1
InChIInChI=1S/C5H4FN5O2S/c6-4-8-2-1-3-9-5(10-11(3)4)14(7,12)13/h1-2H,(H2,7,12,13)
InChIKeyMJZJRURHQDDBPC-UHFFFAOYSA-N
MW217.19 g/mol
LogP-1.09
Rot. Bonds1

About 5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 140993684) has the molecular formula C5H4FN5O2S and a molecular weight of 217.19 g/mol. Its IUPAC name is 5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
PubChem CID140993684
Molecular FormulaC5H4FN5O2S
Molecular Weight217.19 g/mol
Exact Mass217.01
IUPAC Name5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESNS(=O)(=O)c1nc2ccnc(F)n2n1
InChIInChI=1S/C5H4FN5O2S/c6-4-8-2-1-3-9-5(10-11(3)4)14(7,12)13/h1-2H,(H2,7,12,13)
InChIKeyMJZJRURHQDDBPC-UHFFFAOYSA-N
XLogP-1.09
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The IUPAC name of 5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 140993684) is 5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The canonical SMILES for 5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is NS(=O)(=O)c1nc2ccnc(F)n2n1.
What is the InChIKey of 5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The InChIKey is MJZJRURHQDDBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN5O2S/c6-4-8-2-1-3-9-5(10-11(3)4)14(7,12)13/h1-2H,(H2,7,12,13).
What are the key properties of 5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 217.19 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 140993684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).