4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine

C8H10N4S2 — CID 12916132

IUPAC4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCSc1nc(SC)nc2ccnn12
InChIInChI=1S/C8H10N4S2/c1-3-14-8-11-7(13-2)10-6-4-5-9-12(6)8/h4-5H,3H2,1-2H3
InChIKeyMMZSEXGCYNLNLW-UHFFFAOYSA-N
MW226.33 g/mol
LogP1.96
Rot. Bonds3

About 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine

4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 12916132) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID12916132
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCSc1nc(SC)nc2ccnn12
InChIInChI=1S/C8H10N4S2/c1-3-14-8-11-7(13-2)10-6-4-5-9-12(6)8/h4-5H,3H2,1-2H3
InChIKeyMMZSEXGCYNLNLW-UHFFFAOYSA-N
XLogP1.96
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine (CID 12916132) is 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine is CCSc1nc(SC)nc2ccnn12.
What is the InChIKey of 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is MMZSEXGCYNLNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-3-14-8-11-7(13-2)10-6-4-5-9-12(6)8/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 226.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 12916132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).