4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine

C6H4ClFN4S — CID 157027024

IUPAC4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
SMILESCSc1nc(Cl)n2nc(F)cc2n1
InChIInChI=1S/C6H4ClFN4S/c1-13-6-9-4-2-3(8)11-12(4)5(7)10-6/h2H,1H3
InChIKeySNAXIRPHVDPEBD-UHFFFAOYSA-N
MW218.64 g/mol
LogP1.64
Rot. Bonds1

About 4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine

4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 157027024) has the molecular formula C6H4ClFN4S and a molecular weight of 218.64 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID157027024
Molecular FormulaC6H4ClFN4S
Molecular Weight218.64 g/mol
Exact Mass217.98
IUPAC Name4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
SMILESCSc1nc(Cl)n2nc(F)cc2n1
InChIInChI=1S/C6H4ClFN4S/c1-13-6-9-4-2-3(8)11-12(4)5(7)10-6/h2H,1H3
InChIKeySNAXIRPHVDPEBD-UHFFFAOYSA-N
XLogP1.64
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine (CID 157027024) is 4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine is CSc1nc(Cl)n2nc(F)cc2n1.
What is the InChIKey of 4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is SNAXIRPHVDPEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN4S/c1-13-6-9-4-2-3(8)11-12(4)5(7)10-6/h2H,1H3.
What are the key properties of 4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 218.64 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 157027024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).