3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine

C8H10ClN3OS — CID 97163648

IUPAC3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine
SMILESO=[S@](c1ccc(Cl)nn1)[C@@H]1CCNC1
InChIInChI=1S/C8H10ClN3OS/c9-7-1-2-8(12-11-7)14(13)6-3-4-10-5-6/h1-2,6,10H,3-5H2/t6-,14+/m1/s1
InChIKeyWQJYUJANHDAHJV-RCNPXXIZSA-N
MW231.71 g/mol
LogP0.60
Rot. Bonds2

About 3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine

3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine (PubChem CID 97163648) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine
PubChem CID97163648
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine
SMILESO=[S@](c1ccc(Cl)nn1)[C@@H]1CCNC1
InChIInChI=1S/C8H10ClN3OS/c9-7-1-2-8(12-11-7)14(13)6-3-4-10-5-6/h1-2,6,10H,3-5H2/t6-,14+/m1/s1
InChIKeyWQJYUJANHDAHJV-RCNPXXIZSA-N
XLogP0.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride
CID 170987729
4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine
CID 97164004
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
CID 97163703
3-(benzenesulfinyl)pyrrolidine
CID 84666467
2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
CID 97165847
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699
2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987689
2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
CID 71645432
2-chloro-4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97163773
2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine
CID 97163603

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine?
The IUPAC name of 3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine (CID 97163648) is 3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine is O=[S@](c1ccc(Cl)nn1)[C@@H]1CCNC1.
What is the InChIKey of 3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine?
The InChIKey is WQJYUJANHDAHJV-RCNPXXIZSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-7-1-2-8(12-11-7)14(13)6-3-4-10-5-6/h1-2,6,10H,3-5H2/t6-,14+/m1/s1.
What are the key properties of 3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine?
3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine has a molecular weight of 231.71 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine is sourced from PubChem (CID 97163648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).