3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one

C12H8N4O2S — CID 14623669

IUPAC3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(-c3ccc(=O)[nH]n3)s2)n[nH]1
InChIInChI=1S/C12H8N4O2S/c17-11-5-1-7(13-15-11)9-3-4-10(19-9)8-2-6-12(18)16-14-8/h1-6H,(H,15,17)(H,16,18)
InChIKeyNVQFTVBILHZBCC-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.25
Rot. Bonds2

About 3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one

3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one (PubChem CID 14623669) has the molecular formula C12H8N4O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one
PubChem CID14623669
Molecular FormulaC12H8N4O2S
Molecular Weight272.29 g/mol
Exact Mass272.04
IUPAC Name3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(-c3ccc(=O)[nH]n3)s2)n[nH]1
InChIInChI=1S/C12H8N4O2S/c17-11-5-1-7(13-15-11)9-3-4-10(19-9)8-2-6-12(18)16-14-8/h1-6H,(H,15,17)(H,16,18)
InChIKeyNVQFTVBILHZBCC-UHFFFAOYSA-N
XLogP1.25
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one (CID 14623669) is 3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(-c3ccc(=O)[nH]n3)s2)n[nH]1.
What is the InChIKey of 3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one?
The InChIKey is NVQFTVBILHZBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2S/c17-11-5-1-7(13-15-11)9-3-4-10(19-9)8-2-6-12(18)16-14-8/h1-6H,(H,15,17)(H,16,18).
What are the key properties of 3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one?
3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one has a molecular weight of 272.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 14623669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).