3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine

C10H14ClN3S — CID 97163686

IUPAC3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine
SMILESClc1ccc(SC[C@@H]2CCCNC2)nn1
InChIInChI=1S/C10H14ClN3S/c11-9-3-4-10(14-13-9)15-7-8-2-1-5-12-6-8/h3-4,8,12H,1-2,5-7H2/t8-/m1/s1
InChIKeyHFZGPKUZFMVGFB-MRVPVSSYSA-N
MW243.76 g/mol
LogP2.22
Rot. Bonds3

About 3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine

3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine (PubChem CID 97163686) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine
PubChem CID97163686
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine
SMILESClc1ccc(SC[C@@H]2CCCNC2)nn1
InChIInChI=1S/C10H14ClN3S/c11-9-3-4-10(14-13-9)15-7-8-2-1-5-12-6-8/h3-4,8,12H,1-2,5-7H2/t8-/m1/s1
InChIKeyHFZGPKUZFMVGFB-MRVPVSSYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
CID 96879943
5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71640185
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030
2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline
CID 97178445
3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine
CID 97164075
3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
2-chloro-4-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163842
3-(methylsulfanylmethyl)piperidine
CID 22276228
4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
CID 97162667
3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine
CID 117105313
4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 62305322
3-(piperidin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 62848596

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine?
The IUPAC name of 3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine (CID 97163686) is 3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine?
The canonical SMILES for 3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine is Clc1ccc(SC[C@@H]2CCCNC2)nn1.
What is the InChIKey of 3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine?
The InChIKey is HFZGPKUZFMVGFB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c11-9-3-4-10(14-13-9)15-7-8-2-1-5-12-6-8/h3-4,8,12H,1-2,5-7H2/t8-/m1/s1.
What are the key properties of 3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine?
3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine has a molecular weight of 243.76 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine is sourced from PubChem (CID 97163686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).