2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride

C6H2ClF3N4O2S — CID 84813867

IUPAC2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C6H2ClF3N4O2S/c7-17(15,16)3-1-11-5-12-4(6(8,9)10)13-14(5)2-3/h1-2H
InChIKeyGAEIXGNZBIMDSM-UHFFFAOYSA-N
MW286.62 g/mol
LogP1.07
Rot. Bonds1

About 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride

2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride (PubChem CID 84813867) has the molecular formula C6H2ClF3N4O2S and a molecular weight of 286.62 g/mol. Its IUPAC name is 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride
PubChem CID84813867
Molecular FormulaC6H2ClF3N4O2S
Molecular Weight286.62 g/mol
Exact Mass285.95
IUPAC Name2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C6H2ClF3N4O2S/c7-17(15,16)3-1-11-5-12-4(6(8,9)10)13-14(5)2-3/h1-2H
InChIKeyGAEIXGNZBIMDSM-UHFFFAOYSA-N
XLogP1.07
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.62
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
The IUPAC name of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride (CID 84813867) is 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride is O=S(=O)(Cl)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
The InChIKey is GAEIXGNZBIMDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N4O2S/c7-17(15,16)3-1-11-5-12-4(6(8,9)10)13-14(5)2-3/h1-2H.
What are the key properties of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride has a molecular weight of 286.62 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride is sourced from PubChem (CID 84813867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).