8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C8H10N4OS — CID 135671244

IUPAC8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCCc1cnn2c(=O)[nH]c(SC)nc12
InChIInChI=1S/C8H10N4OS/c1-3-5-4-9-12-6(5)10-7(14-2)11-8(12)13/h4H,3H2,1-2H3,(H,10,11,13)
InChIKeyVOISLPCWNIKHOB-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.70
Rot. Bonds2

About 8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 135671244) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID135671244
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCCc1cnn2c(=O)[nH]c(SC)nc12
InChIInChI=1S/C8H10N4OS/c1-3-5-4-9-12-6(5)10-7(14-2)11-8(12)13/h4H,3H2,1-2H3,(H,10,11,13)
InChIKeyVOISLPCWNIKHOB-UHFFFAOYSA-N
XLogP0.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 135671244) is 8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is CCc1cnn2c(=O)[nH]c(SC)nc12.
What is the InChIKey of 8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is VOISLPCWNIKHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-3-5-4-9-12-6(5)10-7(14-2)11-8(12)13/h4H,3H2,1-2H3,(H,10,11,13).
What are the key properties of 8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 210.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 135671244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).