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

C11H14N4O3S — CID 22425628

IUPAC6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(S(=O)(=O)C3CCCCC3)nn12
InChIInChI=1S/C11H14N4O3S/c16-11-13-12-9-6-7-10(14-15(9)11)19(17,18)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,16)
InChIKeyPHOALJQQKFIZMV-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.52
Rot. Bonds2

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

6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 22425628) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID22425628
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(S(=O)(=O)C3CCCCC3)nn12
InChIInChI=1S/C11H14N4O3S/c16-11-13-12-9-6-7-10(14-15(9)11)19(17,18)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,16)
InChIKeyPHOALJQQKFIZMV-UHFFFAOYSA-N
XLogP0.52
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sdccgsbi-0658391.P001
CID 22425639
6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazine-3-thione
CID 53353129
6-(3-chloropropylsulfonyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284015
6-ethenylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284016
2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonyl chloride
CID 66284228
2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonyl chloride
CID 66284229
2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide
CID 66284425
2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide
CID 66284426
6-cyclohexylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 95915832

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 22425628) is 6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(S(=O)(=O)C3CCCCC3)nn12.
What is the InChIKey of 6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is PHOALJQQKFIZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c16-11-13-12-9-6-7-10(14-15(9)11)19(17,18)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,16).
What are the key properties of 6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 282.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 22425628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).