3-ethylsulfanyl-6-pyridin-2-ylpyridazine

C11H11N3S — CID 7207299

IUPAC3-ethylsulfanyl-6-pyridin-2-ylpyridazine
SMILESCCSc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C11H11N3S/c1-2-15-11-7-6-10(13-14-11)9-5-3-4-8-12-9/h3-8H,2H2,1H3
InChIKeyZDILQNDDMLOYEV-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.65
Rot. Bonds3

About 3-ethylsulfanyl-6-pyridin-2-ylpyridazine

3-ethylsulfanyl-6-pyridin-2-ylpyridazine (PubChem CID 7207299) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-ethylsulfanyl-6-pyridin-2-ylpyridazine
PubChem CID7207299
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name3-ethylsulfanyl-6-pyridin-2-ylpyridazine
SMILESCCSc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C11H11N3S/c1-2-15-11-7-6-10(13-14-11)9-5-3-4-8-12-9/h3-8H,2H2,1H3
InChIKeyZDILQNDDMLOYEV-UHFFFAOYSA-N
XLogP2.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-ethylsulfanyl-6-pyridin-2-ylpyridazine (CID 7207299) is 3-ethylsulfanyl-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-ethylsulfanyl-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-ethylsulfanyl-6-pyridin-2-ylpyridazine is CCSc1ccc(-c2ccccn2)nn1.
What is the InChIKey of 3-ethylsulfanyl-6-pyridin-2-ylpyridazine?
The InChIKey is ZDILQNDDMLOYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-2-15-11-7-6-10(13-14-11)9-5-3-4-8-12-9/h3-8H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-6-pyridin-2-ylpyridazine?
3-ethylsulfanyl-6-pyridin-2-ylpyridazine has a molecular weight of 217.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 7207299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).