3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one

C15H6Cl2N2OS — CID 6322800

IUPAC3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3cc(Cl)sc3Cl)cc21
InChIInChI=1S/C15H6Cl2N2OS/c16-12-6-9(15(17)21-12)11-5-10-13(19-18-11)7-3-1-2-4-8(7)14(10)20/h1-6H
InChIKeyDWDIWBGEEYFBQC-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.72
Rot. Bonds1

About 3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one

3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one (PubChem CID 6322800) has the molecular formula C15H6Cl2N2OS and a molecular weight of 333.20 g/mol. Its IUPAC name is 3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one.

Molecular Properties

Compound Name3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one
PubChem CID6322800
Molecular FormulaC15H6Cl2N2OS
Molecular Weight333.20 g/mol
Exact Mass331.96
IUPAC Name3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one
SMILESO=C1c2ccccc2-c2nnc(-c3cc(Cl)sc3Cl)cc21
InChIInChI=1S/C15H6Cl2N2OS/c16-12-6-9(15(17)21-12)11-5-10-13(19-18-11)7-3-1-2-4-8(7)14(10)20/h1-6H
InChIKeyDWDIWBGEEYFBQC-UHFFFAOYSA-N
XLogP4.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 54.72
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one?
The IUPAC name of 3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one (CID 6322800) is 3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one.
What is the SMILES notation for 3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one?
The canonical SMILES for 3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one is O=C1c2ccccc2-c2nnc(-c3cc(Cl)sc3Cl)cc21.
What is the InChIKey of 3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one?
The InChIKey is DWDIWBGEEYFBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl2N2OS/c16-12-6-9(15(17)21-12)11-5-10-13(19-18-11)7-3-1-2-4-8(7)14(10)20/h1-6H.
What are the key properties of 3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one?
3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one has a molecular weight of 333.20 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorothiophen-3-yl)indeno[1,2-c]pyridazin-5-one is sourced from PubChem (CID 6322800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).