3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine

C12H17N3O3S — CID 91627439

IUPAC3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
SMILESCc1ccc(OC2CCN(S(=O)(=O)C3CC3)C2)nn1
InChIInChI=1S/C12H17N3O3S/c1-9-2-5-12(14-13-9)18-10-6-7-15(8-10)19(16,17)11-3-4-11/h2,5,10-11H,3-4,6-8H2,1H3
InChIKeyNIRASOLKROUWKV-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.73
Rot. Bonds4

About 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine

3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine (PubChem CID 91627439) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine.

Molecular Properties

Compound Name3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
PubChem CID91627439
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
SMILESCc1ccc(OC2CCN(S(=O)(=O)C3CC3)C2)nn1
InChIInChI=1S/C12H17N3O3S/c1-9-2-5-12(14-13-9)18-10-6-7-15(8-10)19(16,17)11-3-4-11/h2,5,10-11H,3-4,6-8H2,1H3
InChIKeyNIRASOLKROUWKV-UHFFFAOYSA-N
XLogP0.73
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638915
3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629815
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638978
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyridazine
CID 126953957
6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
CID 100637555
4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089
3,5-dimethyl-4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 100629745
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629708
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 100626916

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine?
The IUPAC name of 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine (CID 91627439) is 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine.
What is the SMILES notation for 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine?
The canonical SMILES for 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine is Cc1ccc(OC2CCN(S(=O)(=O)C3CC3)C2)nn1.
What is the InChIKey of 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine?
The InChIKey is NIRASOLKROUWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-2-5-12(14-13-9)18-10-6-7-15(8-10)19(16,17)11-3-4-11/h2,5,10-11H,3-4,6-8H2,1H3.
What are the key properties of 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine?
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine has a molecular weight of 283.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine is sourced from PubChem (CID 91627439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).