5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C6H6FN5O2S — CID 19833544

IUPAC5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESNS(=O)(=O)c1nc2nc(CF)ccn2n1
InChIInChI=1S/C6H6FN5O2S/c7-3-4-1-2-12-5(9-4)10-6(11-12)15(8,13)14/h1-2H,3H2,(H2,8,13,14)
InChIKeyNENJLMKOQGMPGE-UHFFFAOYSA-N
MW231.21 g/mol
LogP-0.76
Rot. Bonds2

About 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 19833544) has the molecular formula C6H6FN5O2S and a molecular weight of 231.21 g/mol. Its IUPAC name is 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID19833544
Molecular FormulaC6H6FN5O2S
Molecular Weight231.21 g/mol
Exact Mass231.02
IUPAC Name5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESNS(=O)(=O)c1nc2nc(CF)ccn2n1
InChIInChI=1S/C6H6FN5O2S/c7-3-4-1-2-12-5(9-4)10-6(11-12)15(8,13)14/h1-2H,3H2,(H2,8,13,14)
InChIKeyNENJLMKOQGMPGE-UHFFFAOYSA-N
XLogP-0.76
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 19833544) is 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is NS(=O)(=O)c1nc2nc(CF)ccn2n1.
What is the InChIKey of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is NENJLMKOQGMPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN5O2S/c7-3-4-1-2-12-5(9-4)10-6(11-12)15(8,13)14/h1-2H,3H2,(H2,8,13,14).
What are the key properties of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 231.21 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 19833544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).