4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline

C15H16N4S — CID 6457878

IUPAC4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESc1ccc2c(c1)nc(SC1CCCCC1)c1nncn12
InChIInChI=1S/C15H16N4S/c1-2-6-11(7-3-1)20-15-14-18-16-10-19(14)13-9-5-4-8-12(13)17-15/h4-5,8-11H,1-3,6-7H2
InChIKeyUXSVKOSMOYBNDI-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.70
Rot. Bonds2

About 4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline

4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 6457878) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID6457878
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESc1ccc2c(c1)nc(SC1CCCCC1)c1nncn12
InChIInChI=1S/C15H16N4S/c1-2-6-11(7-3-1)20-15-14-18-16-10-19(14)13-9-5-4-8-12(13)17-15/h4-5,8-11H,1-3,6-7H2
InChIKeyUXSVKOSMOYBNDI-UHFFFAOYSA-N
XLogP3.70
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 6457878) is 4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline is c1ccc2c(c1)nc(SC1CCCCC1)c1nncn12.
What is the InChIKey of 4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is UXSVKOSMOYBNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-6-11(7-3-1)20-15-14-18-16-10-19(14)13-9-5-4-8-12(13)17-15/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 284.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 6457878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).