3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one

C9H8N2OS — CID 106518542

IUPAC3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(=O)[nH]n2)cs1
InChIInChI=1S/C9H8N2OS/c1-6-4-7(5-13-6)8-2-3-9(12)11-10-8/h2-5H,1H3,(H,11,12)
InChIKeyCTBGIAYFQRQQHY-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds1

About 3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one

3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one (PubChem CID 106518542) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one
PubChem CID106518542
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(=O)[nH]n2)cs1
InChIInChI=1S/C9H8N2OS/c1-6-4-7(5-13-6)8-2-3-9(12)11-10-8/h2-5H,1H3,(H,11,12)
InChIKeyCTBGIAYFQRQQHY-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769330
3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one
CID 20522388
5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one
CID 106518530
N-[(3-methylphenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134955
N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134880
N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134871
6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518555
N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135082
3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one
CID 95092750
N-(2,5-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134865
N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134936
3-(4-tert-butyl-3,5-dichlorophenyl)-1H-pyridazin-6-one
CID 54325310

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one (CID 106518542) is 3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one is Cc1cc(-c2ccc(=O)[nH]n2)cs1.
What is the InChIKey of 3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one?
The InChIKey is CTBGIAYFQRQQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-4-7(5-13-6)8-2-3-9(12)11-10-8/h2-5H,1H3,(H,11,12).
What are the key properties of 3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one?
3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one has a molecular weight of 192.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 106518542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).