3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride

C9H14ClN3OS — CID 170987729

IUPAC3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride
SMILESCc1ccc([S@](=O)[C@H]2CCNC2)nn1.Cl
InChIInChI=1S/C9H13N3OS.ClH/c1-7-2-3-9(12-11-7)14(13)8-4-5-10-6-8;/h2-3,8,10H,4-6H2,1H3;1H/t8-,14+;/m0./s1
InChIKeyRGYPQOZAKFLTLL-ZYASKXKBSA-N
MW247.75 g/mol
LogP0.68
Rot. Bonds2

About 3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride

3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride (PubChem CID 170987729) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride.

Molecular Properties

Compound Name3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride
PubChem CID170987729
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride
SMILESCc1ccc([S@](=O)[C@H]2CCNC2)nn1.Cl
InChIInChI=1S/C9H13N3OS.ClH/c1-7-2-3-9(12-11-7)14(13)8-4-5-10-6-8;/h2-3,8,10H,4-6H2,1H3;1H/t8-,14+;/m0./s1
InChIKeyRGYPQOZAKFLTLL-ZYASKXKBSA-N
XLogP0.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine
CID 97163648
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
CID 97162978
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
4-methyl-2-[(3S)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638989
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638987
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699
2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987689
5-methyl-2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97162908
2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
CID 71638192
2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
CID 71645432
3-(benzenesulfinyl)pyrrolidine
CID 84666467

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride?
The IUPAC name of 3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride (CID 170987729) is 3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride.
What is the SMILES notation for 3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride?
The canonical SMILES for 3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride is Cc1ccc([S@](=O)[C@H]2CCNC2)nn1.Cl.
What is the InChIKey of 3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride?
The InChIKey is RGYPQOZAKFLTLL-ZYASKXKBSA-N. The full InChI is InChI=1S/C9H13N3OS.ClH/c1-7-2-3-9(12-11-7)14(13)8-4-5-10-6-8;/h2-3,8,10H,4-6H2,1H3;1H/t8-,14+;/m0./s1.
What are the key properties of 3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride?
3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride is sourced from PubChem (CID 170987729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).