3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine

C12H18N4O3S — CID 90638570

IUPAC3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
SMILESO=S(=O)(N1CCCC1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C12H18N4O3S/c17-20(18,15-7-1-2-8-15)16-9-5-11(10-16)19-12-4-3-6-13-14-12/h3-4,6,11H,1-2,5,7-10H2
InChIKeyQXEOGZNHZYXKGQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.27
Rot. Bonds4

About 3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine

3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine (PubChem CID 90638570) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine.

Molecular Properties

Compound Name3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
PubChem CID90638570
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
SMILESO=S(=O)(N1CCCC1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C12H18N4O3S/c17-20(18,15-7-1-2-8-15)16-9-5-11(10-16)19-12-4-3-6-13-14-12/h3-4,6,11H,1-2,5,7-10H2
InChIKeyQXEOGZNHZYXKGQ-UHFFFAOYSA-N
XLogP0.27
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638533
3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638513
4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 91627303
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624540
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638544
1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 90638515
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760261
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
CID 100640808

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine?
The IUPAC name of 3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine (CID 90638570) is 3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine.
What is the SMILES notation for 3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine?
The canonical SMILES for 3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine is O=S(=O)(N1CCCC1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine?
The InChIKey is QXEOGZNHZYXKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c17-20(18,15-7-1-2-8-15)16-9-5-11(10-16)19-12-4-3-6-13-14-12/h3-4,6,11H,1-2,5,7-10H2.
What are the key properties of 3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine?
3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine has a molecular weight of 298.37 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine is sourced from PubChem (CID 90638570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).