3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine

C10H15N3OS — CID 97162978

IUPAC3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
SMILESCc1ccc([S@](=O)C[C@@H]2CCNC2)nn1
InChIInChI=1S/C10H15N3OS/c1-8-2-3-10(13-12-8)15(14)7-9-4-5-11-6-9/h2-3,9,11H,4-7H2,1H3/t9-,15-/m1/s1
InChIKeyHJXOZCYTXBZQFH-RFAUZJTJSA-N
MW225.32 g/mol
LogP0.50
Rot. Bonds3

About 3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine

3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine (PubChem CID 97162978) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
PubChem CID97162978
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
SMILESCc1ccc([S@](=O)C[C@@H]2CCNC2)nn1
InChIInChI=1S/C10H15N3OS/c1-8-2-3-10(13-12-8)15(14)7-9-4-5-11-6-9/h2-3,9,11H,4-7H2,1H3/t9-,15-/m1/s1
InChIKeyHJXOZCYTXBZQFH-RFAUZJTJSA-N
XLogP0.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.50
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
4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111
N,6-dimethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164558
5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine
CID 97162928
2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
CID 97162722
2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
CID 71638208
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine
CID 112741739
6-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 96586619
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051
4-chloro-6-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97164027

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine?
The IUPAC name of 3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine (CID 97162978) is 3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine.
What is the SMILES notation for 3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine?
The canonical SMILES for 3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine is Cc1ccc([S@](=O)C[C@@H]2CCNC2)nn1.
What is the InChIKey of 3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine?
The InChIKey is HJXOZCYTXBZQFH-RFAUZJTJSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-2-3-10(13-12-8)15(14)7-9-4-5-11-6-9/h2-3,9,11H,4-7H2,1H3/t9-,15-/m1/s1.
What are the key properties of 3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine?
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine has a molecular weight of 225.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine is sourced from PubChem (CID 97162978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).