6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one

C15H17N3O2S — CID 75501163

IUPAC6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CN3CCCCC3=O)n2)s1
InChIInChI=1S/C15H17N3O2S/c1-11-5-7-13(21-11)12-6-8-15(20)18(16-12)10-17-9-3-2-4-14(17)19/h5-8H,2-4,9-10H2,1H3
InChIKeyCUKKFZRLIKSPOA-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.25
Rot. Bonds3

About 6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one

6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one (PubChem CID 75501163) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one
PubChem CID75501163
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CN3CCCCC3=O)n2)s1
InChIInChI=1S/C15H17N3O2S/c1-11-5-7-13(21-11)12-6-8-15(20)18(16-12)10-17-9-3-2-4-14(17)19/h5-8H,2-4,9-10H2,1H3
InChIKeyCUKKFZRLIKSPOA-UHFFFAOYSA-N
XLogP2.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one (CID 75501163) is 6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CN3CCCCC3=O)n2)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one?
The InChIKey is CUKKFZRLIKSPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-5-7-13(21-11)12-6-8-15(20)18(16-12)10-17-9-3-2-4-14(17)19/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one?
6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one has a molecular weight of 303.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 75501163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).