6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C11H14N4OS — CID 95915832

IUPAC6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(SC3CCCCC3)nn12
InChIInChI=1S/C11H14N4OS/c16-11-13-12-9-6-7-10(14-15(9)11)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,16)
InChIKeyRDXKMQACFMXEOV-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.84
Rot. Bonds2

About 6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 95915832) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID95915832
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(SC3CCCCC3)nn12
InChIInChI=1S/C11H14N4OS/c16-11-13-12-9-6-7-10(14-15(9)11)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,16)
InChIKeyRDXKMQACFMXEOV-UHFFFAOYSA-N
XLogP1.84
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 95915832) is 6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(SC3CCCCC3)nn12.
What is the InChIKey of 6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is RDXKMQACFMXEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c16-11-13-12-9-6-7-10(14-15(9)11)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,16).
What are the key properties of 6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 250.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 95915832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).