3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one

C15H8N2OS — CID 2765457

IUPAC3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3cccs3)cc21
InChIInChI=1S/C15H8N2OS/c18-15-10-5-2-1-4-9(10)14-11(15)8-12(16-17-14)13-6-3-7-19-13/h1-8H
InChIKeyYXVYRMDNIFLLPI-UHFFFAOYSA-N
MW264.31 g/mol
LogP3.42
Rot. Bonds1

About 3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one

3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one (PubChem CID 2765457) has the molecular formula C15H8N2OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one
PubChem CID2765457
Molecular FormulaC15H8N2OS
Molecular Weight264.31 g/mol
Exact Mass264.04
IUPAC Name3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3cccs3)cc21
InChIInChI=1S/C15H8N2OS/c18-15-10-5-2-1-4-9(10)14-11(15)8-12(16-17-14)13-6-3-7-19-13/h1-8H
InChIKeyYXVYRMDNIFLLPI-UHFFFAOYSA-N
XLogP3.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-5H-indeno[1,2-c]pyridazin-5-one
CID 379341
3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one
CID 379337
7-Phenyl-1-(6-(thiophen-2-yl)-pyridazin-3-yl)-heptan-1-one
CID 24951321
3-((E)-Styryl)-indeno[1,2-c]pyridazin-5-one
CID 10107929
3-phenethyl-5H-indeno[1,2-c]pyridazin-5-one
CID 10265999
3-benzyl-5H-indeno[1,2-c]pyridazin-5-one
CID 10423365
2-(6-Phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone
CID 7205744
1-Phenyl-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)ethanone
CID 6624187
3-(2,5-Dichloro-3-thienyl)indeno[3,2-c]pyridazin-5-one
CID 6322800
3-(2-Thienyl)indeno[3,2-C]pyrazol-4-one
CID 4078101
7-Phenyl-1-(6-thiophen-2-ylpyridazin-3-yl)heptan-2-one
CID 91396830
2-(6-Methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone
CID 158181749

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one (CID 2765457) is 3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(-c3cccs3)cc21.
What is the InChIKey of 3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one?
The InChIKey is YXVYRMDNIFLLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2OS/c18-15-10-5-2-1-4-9(10)14-11(15)8-12(16-17-14)13-6-3-7-19-13/h1-8H.
What are the key properties of 3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one?
3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one has a molecular weight of 264.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylindeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 2765457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).