5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid

C7H7FN4O4S — CID 23303907

IUPAC5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid
SMILESCCOc1nc(F)cc2nc(S(=O)(=O)O)nn12
InChIInChI=1S/C7H7FN4O4S/c1-2-16-7-9-4(8)3-5-10-6(11-12(5)7)17(13,14)15/h3H,2H2,1H3,(H,13,14,15)
InChIKeyFAVSDIPJTYNUEN-UHFFFAOYSA-N
MW262.22 g/mol
LogP-0.09
Rot. Bonds3

About 5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid

5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid (PubChem CID 23303907) has the molecular formula C7H7FN4O4S and a molecular weight of 262.22 g/mol. Its IUPAC name is 5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid.

Molecular Properties

Compound Name5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid
PubChem CID23303907
Molecular FormulaC7H7FN4O4S
Molecular Weight262.22 g/mol
Exact Mass262.02
IUPAC Name5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid
SMILESCCOc1nc(F)cc2nc(S(=O)(=O)O)nn12
InChIInChI=1S/C7H7FN4O4S/c1-2-16-7-9-4(8)3-5-10-6(11-12(5)7)17(13,14)15/h3H,2H2,1H3,(H,13,14,15)
InChIKeyFAVSDIPJTYNUEN-UHFFFAOYSA-N
XLogP-0.09
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid?
The IUPAC name of 5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid (CID 23303907) is 5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid.
What is the SMILES notation for 5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid?
The canonical SMILES for 5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid is CCOc1nc(F)cc2nc(S(=O)(=O)O)nn12.
What is the InChIKey of 5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid?
The InChIKey is FAVSDIPJTYNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4O4S/c1-2-16-7-9-4(8)3-5-10-6(11-12(5)7)17(13,14)15/h3H,2H2,1H3,(H,13,14,15).
What are the key properties of 5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid?
5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid has a molecular weight of 262.22 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid is sourced from PubChem (CID 23303907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).