2-phenacyl-6-thiophen-2-ylpyridazin-3-one

C16H12N2O2S — CID 43818842

IUPAC2-phenacyl-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c19-14(12-5-2-1-3-6-12)11-18-16(20)9-8-13(17-18)15-7-4-10-21-15/h1-10H,11H2
InChIKeyDBKZCVWTEYZQDM-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.85
Rot. Bonds4

About 2-phenacyl-6-thiophen-2-ylpyridazin-3-one

2-phenacyl-6-thiophen-2-ylpyridazin-3-one (PubChem CID 43818842) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-phenacyl-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-phenacyl-6-thiophen-2-ylpyridazin-3-one
PubChem CID43818842
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name2-phenacyl-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c19-14(12-5-2-1-3-6-12)11-18-16(20)9-8-13(17-18)15-7-4-10-21-15/h1-10H,11H2
InChIKeyDBKZCVWTEYZQDM-UHFFFAOYSA-N
XLogP2.85
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenacyl-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-phenacyl-6-thiophen-2-ylpyridazin-3-one (CID 43818842) is 2-phenacyl-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-phenacyl-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-phenacyl-6-thiophen-2-ylpyridazin-3-one is O=C(Cn1nc(-c2cccs2)ccc1=O)c1ccccc1.
What is the InChIKey of 2-phenacyl-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is DBKZCVWTEYZQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-14(12-5-2-1-3-6-12)11-18-16(20)9-8-13(17-18)15-7-4-10-21-15/h1-10H,11H2.
What are the key properties of 2-phenacyl-6-thiophen-2-ylpyridazin-3-one?
2-phenacyl-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 296.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenacyl-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 43818842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).