2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine

C15H12N4S3 — CID 102460580

IUPAC2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCSc1nc(-c2cccs2)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C15H12N4S3/c1-2-20-15-16-13-9-10(11-5-3-7-21-11)18-19(13)14(17-15)12-6-4-8-22-12/h3-9H,2H2,1H3
InChIKeyVVQKLHMLTMWKAE-UHFFFAOYSA-N
MW344.49 g/mol
LogP4.69
Rot. Bonds4

About 2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine

2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 102460580) has the molecular formula C15H12N4S3 and a molecular weight of 344.49 g/mol. Its IUPAC name is 2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID102460580
Molecular FormulaC15H12N4S3
Molecular Weight344.49 g/mol
Exact Mass344.02
IUPAC Name2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCSc1nc(-c2cccs2)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C15H12N4S3/c1-2-20-15-16-13-9-10(11-5-3-7-21-11)18-19(13)14(17-15)12-6-4-8-22-12/h3-9H,2H2,1H3
InChIKeyVVQKLHMLTMWKAE-UHFFFAOYSA-N
XLogP4.69
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine (CID 102460580) is 2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine is CCSc1nc(-c2cccs2)n2nc(-c3cccs3)cc2n1.
What is the InChIKey of 2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is VVQKLHMLTMWKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S3/c1-2-20-15-16-13-9-10(11-5-3-7-21-11)18-19(13)14(17-15)12-6-4-8-22-12/h3-9H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine?
2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 344.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4,7-dithiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 102460580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).