3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine

C12H19N3O4S — CID 90639359

IUPAC3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine
SMILESCCCS(=O)(=O)N1CCC(Oc2ccc(OC)nn2)C1
InChIInChI=1S/C12H19N3O4S/c1-3-8-20(16,17)15-7-6-10(9-15)19-12-5-4-11(18-2)13-14-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyWJQUJLURMYFCMU-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.68
Rot. Bonds6

About 3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine

3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine (PubChem CID 90639359) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine.

Molecular Properties

Compound Name3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine
PubChem CID90639359
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine
SMILESCCCS(=O)(=O)N1CCC(Oc2ccc(OC)nn2)C1
InChIInChI=1S/C12H19N3O4S/c1-3-8-20(16,17)15-7-6-10(9-15)19-12-5-4-11(18-2)13-14-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyWJQUJLURMYFCMU-UHFFFAOYSA-N
XLogP0.68
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627548
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260060
1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 90639397
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 90639393
3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 100633882
3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461772
2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine
CID 90559116
N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
CID 90639440
3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine
CID 100644194
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine?
The IUPAC name of 3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine (CID 90639359) is 3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine.
What is the SMILES notation for 3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine?
The canonical SMILES for 3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine is CCCS(=O)(=O)N1CCC(Oc2ccc(OC)nn2)C1.
What is the InChIKey of 3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine?
The InChIKey is WJQUJLURMYFCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-3-8-20(16,17)15-7-6-10(9-15)19-12-5-4-11(18-2)13-14-12/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine?
3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine has a molecular weight of 301.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine is sourced from PubChem (CID 90639359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).