3-chloro-4-propyl-6-thiophen-2-ylpyridazine

C11H11ClN2S — CID 19104952

IUPAC3-chloro-4-propyl-6-thiophen-2-ylpyridazine
SMILESCCCc1cc(-c2cccs2)nnc1Cl
InChIInChI=1S/C11H11ClN2S/c1-2-4-8-7-9(13-14-11(8)12)10-5-3-6-15-10/h3,5-7H,2,4H2,1H3
InChIKeyJKPHVUNDKSVQIL-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.81
Rot. Bonds3

About 3-chloro-4-propyl-6-thiophen-2-ylpyridazine

3-chloro-4-propyl-6-thiophen-2-ylpyridazine (PubChem CID 19104952) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 3-chloro-4-propyl-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-chloro-4-propyl-6-thiophen-2-ylpyridazine
PubChem CID19104952
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name3-chloro-4-propyl-6-thiophen-2-ylpyridazine
SMILESCCCc1cc(-c2cccs2)nnc1Cl
InChIInChI=1S/C11H11ClN2S/c1-2-4-8-7-9(13-14-11(8)12)10-5-3-6-15-10/h3,5-7H,2,4H2,1H3
InChIKeyJKPHVUNDKSVQIL-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-propyl-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-chloro-4-propyl-6-thiophen-2-ylpyridazine (CID 19104952) is 3-chloro-4-propyl-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-chloro-4-propyl-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-chloro-4-propyl-6-thiophen-2-ylpyridazine is CCCc1cc(-c2cccs2)nnc1Cl.
What is the InChIKey of 3-chloro-4-propyl-6-thiophen-2-ylpyridazine?
The InChIKey is JKPHVUNDKSVQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-2-4-8-7-9(13-14-11(8)12)10-5-3-6-15-10/h3,5-7H,2,4H2,1H3.
What are the key properties of 3-chloro-4-propyl-6-thiophen-2-ylpyridazine?
3-chloro-4-propyl-6-thiophen-2-ylpyridazine has a molecular weight of 238.74 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-propyl-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 19104952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).