3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one

C12H13N3OS — CID 82383836

IUPAC3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one
SMILESCc1nncc2cc(C3CNCCC3=O)sc12
InChIInChI=1S/C12H13N3OS/c1-7-12-8(5-14-15-7)4-11(17-12)9-6-13-3-2-10(9)16/h4-5,9,13H,2-3,6H2,1H3
InChIKeyWSOWDCZSKJMTCG-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.65
Rot. Bonds1

About 3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one

3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one (PubChem CID 82383836) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one.

Molecular Properties

Compound Name3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one
PubChem CID82383836
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one
SMILESCc1nncc2cc(C3CNCCC3=O)sc12
InChIInChI=1S/C12H13N3OS/c1-7-12-8(5-14-15-7)4-11(17-12)9-6-13-3-2-10(9)16/h4-5,9,13H,2-3,6H2,1H3
InChIKeyWSOWDCZSKJMTCG-UHFFFAOYSA-N
XLogP1.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one?
The IUPAC name of 3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one (CID 82383836) is 3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one.
What is the SMILES notation for 3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one?
The canonical SMILES for 3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one is Cc1nncc2cc(C3CNCCC3=O)sc12.
What is the InChIKey of 3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one?
The InChIKey is WSOWDCZSKJMTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-12-8(5-14-15-7)4-11(17-12)9-6-13-3-2-10(9)16/h4-5,9,13H,2-3,6H2,1H3.
What are the key properties of 3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one?
3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one has a molecular weight of 247.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methylthieno[2,3-d]pyridazin-2-yl)piperidin-4-one is sourced from PubChem (CID 82383836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).