3-phenyl-5-thiophen-2-ylpyridazine

C14H10N2S — CID 15362131

IUPAC3-phenyl-5-thiophen-2-ylpyridazine
SMILESc1ccc(-c2cc(-c3cccs3)cnn2)cc1
InChIInChI=1S/C14H10N2S/c1-2-5-11(6-3-1)13-9-12(10-15-16-13)14-7-4-8-17-14/h1-10H
InChIKeyDTEWKONVFIXWJI-UHFFFAOYSA-N
MW238.32 g/mol
LogP3.87
Rot. Bonds2

About 3-phenyl-5-thiophen-2-ylpyridazine

3-phenyl-5-thiophen-2-ylpyridazine (PubChem CID 15362131) has the molecular formula C14H10N2S and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-phenyl-5-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-phenyl-5-thiophen-2-ylpyridazine
PubChem CID15362131
Molecular FormulaC14H10N2S
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Name3-phenyl-5-thiophen-2-ylpyridazine
SMILESc1ccc(-c2cc(-c3cccs3)cnn2)cc1
InChIInChI=1S/C14H10N2S/c1-2-5-11(6-3-1)13-9-12(10-15-16-13)14-7-4-8-17-14/h1-10H
InChIKeyDTEWKONVFIXWJI-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-thiophen-2-ylpyridazine?
The IUPAC name of 3-phenyl-5-thiophen-2-ylpyridazine (CID 15362131) is 3-phenyl-5-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-phenyl-5-thiophen-2-ylpyridazine?
The canonical SMILES for 3-phenyl-5-thiophen-2-ylpyridazine is c1ccc(-c2cc(-c3cccs3)cnn2)cc1.
What is the InChIKey of 3-phenyl-5-thiophen-2-ylpyridazine?
The InChIKey is DTEWKONVFIXWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c1-2-5-11(6-3-1)13-9-12(10-15-16-13)14-7-4-8-17-14/h1-10H.
What are the key properties of 3-phenyl-5-thiophen-2-ylpyridazine?
3-phenyl-5-thiophen-2-ylpyridazine has a molecular weight of 238.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-thiophen-2-ylpyridazine is sourced from PubChem (CID 15362131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).