5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

C7H4ClF3N4O2S — CID 19837378

IUPAC5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1cc(C(F)(F)F)n2nc(S(=O)(=O)Cl)nc2n1
InChIInChI=1S/C7H4ClF3N4O2S/c1-3-2-4(7(9,10)11)15-5(12-3)13-6(14-15)18(8,16)17/h2H,1H3
InChIKeyYUSOZQQFDQCTGI-UHFFFAOYSA-N
MW300.65 g/mol
LogP1.38
Rot. Bonds1

About 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (PubChem CID 19837378) has the molecular formula C7H4ClF3N4O2S and a molecular weight of 300.65 g/mol. Its IUPAC name is 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
PubChem CID19837378
Molecular FormulaC7H4ClF3N4O2S
Molecular Weight300.65 g/mol
Exact Mass299.97
IUPAC Name5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1cc(C(F)(F)F)n2nc(S(=O)(=O)Cl)nc2n1
InChIInChI=1S/C7H4ClF3N4O2S/c1-3-2-4(7(9,10)11)15-5(12-3)13-6(14-15)18(8,16)17/h2H,1H3
InChIKeyYUSOZQQFDQCTGI-UHFFFAOYSA-N
XLogP1.38
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.65
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (CID 19837378) is 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is Cc1cc(C(F)(F)F)n2nc(S(=O)(=O)Cl)nc2n1.
What is the InChIKey of 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The InChIKey is YUSOZQQFDQCTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N4O2S/c1-3-2-4(7(9,10)11)15-5(12-3)13-6(14-15)18(8,16)17/h2H,1H3.
What are the key properties of 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride has a molecular weight of 300.65 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 19837378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).