3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine

C11H15ClN2S — CID 104514382

IUPAC3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine
SMILESClc1ccc(CSCC2CCCC2)nn1
InChIInChI=1S/C11H15ClN2S/c12-11-6-5-10(13-14-11)8-15-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2
InChIKeyXUTYSIPBIXVUJX-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.55
Rot. Bonds4

About 3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine

3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine (PubChem CID 104514382) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine
PubChem CID104514382
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine
SMILESClc1ccc(CSCC2CCCC2)nn1
InChIInChI=1S/C11H15ClN2S/c12-11-6-5-10(13-14-11)8-15-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2
InChIKeyXUTYSIPBIXVUJX-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine?
The IUPAC name of 3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine (CID 104514382) is 3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine is Clc1ccc(CSCC2CCCC2)nn1.
What is the InChIKey of 3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine?
The InChIKey is XUTYSIPBIXVUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c12-11-6-5-10(13-14-11)8-15-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2.
What are the key properties of 3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine?
3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine has a molecular weight of 242.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine is sourced from PubChem (CID 104514382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).