3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine

C10H16N4S — CID 82509724

IUPAC3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine
SMILESCSc1ccc(CN2CCNCC2)nn1
InChIInChI=1S/C10H16N4S/c1-15-10-3-2-9(12-13-10)8-14-6-4-11-5-7-14/h2-3,11H,4-8H2,1H3
InChIKeyDVSSZXYVMFXODE-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.60
Rot. Bonds3

About 3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine

3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine (PubChem CID 82509724) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine
PubChem CID82509724
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine
SMILESCSc1ccc(CN2CCNCC2)nn1
InChIInChI=1S/C10H16N4S/c1-15-10-3-2-9(12-13-10)8-14-6-4-11-5-7-14/h2-3,11H,4-8H2,1H3
InChIKeyDVSSZXYVMFXODE-UHFFFAOYSA-N
XLogP0.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine?
The IUPAC name of 3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine (CID 82509724) is 3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine.
What is the SMILES notation for 3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine?
The canonical SMILES for 3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine is CSc1ccc(CN2CCNCC2)nn1.
What is the InChIKey of 3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine?
The InChIKey is DVSSZXYVMFXODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-15-10-3-2-9(12-13-10)8-14-6-4-11-5-7-14/h2-3,11H,4-8H2,1H3.
What are the key properties of 3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine?
3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine has a molecular weight of 224.33 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-(piperazin-1-ylmethyl)pyridazine is sourced from PubChem (CID 82509724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).