3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol

C8H12N2O3S — CID 114983817

IUPAC3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1ccnnc1
InChIInChI=1S/C8H12N2O3S/c1-14(12,13)5-3-8(11)7-2-4-9-10-6-7/h2,4,6,8,11H,3,5H2,1H3
InChIKeyQMUMOLMUSBYBBP-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.06
Rot. Bonds4

About 3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol

3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol (PubChem CID 114983817) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol
PubChem CID114983817
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1ccnnc1
InChIInChI=1S/C8H12N2O3S/c1-14(12,13)5-3-8(11)7-2-4-9-10-6-7/h2,4,6,8,11H,3,5H2,1H3
InChIKeyQMUMOLMUSBYBBP-UHFFFAOYSA-N
XLogP-0.06
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyridazin-4-ylnonan-1-ol
CID 105085715
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
CID 62606467
3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol
CID 62608221
1-(3,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148550
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
CID 114983838
3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol
CID 62605954
1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 114938017
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 65362596
2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol
CID 105120710

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol?
The IUPAC name of 3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol (CID 114983817) is 3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol.
What is the SMILES notation for 3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol?
The canonical SMILES for 3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol is CS(=O)(=O)CCC(O)c1ccnnc1.
What is the InChIKey of 3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol?
The InChIKey is QMUMOLMUSBYBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-14(12,13)5-3-8(11)7-2-4-9-10-6-7/h2,4,6,8,11H,3,5H2,1H3.
What are the key properties of 3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol?
3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol has a molecular weight of 216.26 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol is sourced from PubChem (CID 114983817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).