7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C8H9FN4S — CID 605736

IUPAC7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(SCCF)n2ncnc2n1
InChIInChI=1S/C8H9FN4S/c1-6-4-7(14-3-2-9)13-8(12-6)10-5-11-13/h4-5H,2-3H2,1H3
InChIKeyQXEFOGJZDRVUOQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.49
Rot. Bonds3

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

7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 605736) has the molecular formula C8H9FN4S and a molecular weight of 212.25 g/mol. Its IUPAC name is 7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID605736
Molecular FormulaC8H9FN4S
Molecular Weight212.25 g/mol
Exact Mass212.05
IUPAC Name7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(SCCF)n2ncnc2n1
InChIInChI=1S/C8H9FN4S/c1-6-4-7(14-3-2-9)13-8(12-6)10-5-11-13/h4-5H,2-3H2,1H3
InChIKeyQXEFOGJZDRVUOQ-UHFFFAOYSA-N
XLogP1.49
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 605736) is 7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(SCCF)n2ncnc2n1.
What is the InChIKey of 7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QXEFOGJZDRVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4S/c1-6-4-7(14-3-2-9)13-8(12-6)10-5-11-13/h4-5H,2-3H2,1H3.
What are the key properties of 7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 212.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 605736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).