3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one

C10H6N4O2S — CID 94069171

IUPAC3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2nc(-c3cccs3)no2)n[nH]1
InChIInChI=1S/C10H6N4O2S/c15-8-4-3-6(12-13-8)10-11-9(14-16-10)7-2-1-5-17-7/h1-5H,(H,13,15)
InChIKeyKJRGPWLOVXOIJE-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.55
Rot. Bonds2

About 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one

3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one (PubChem CID 94069171) has the molecular formula C10H6N4O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
PubChem CID94069171
Molecular FormulaC10H6N4O2S
Molecular Weight246.25 g/mol
Exact Mass246.02
IUPAC Name3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2nc(-c3cccs3)no2)n[nH]1
InChIInChI=1S/C10H6N4O2S/c15-8-4-3-6(12-13-8)10-11-9(14-16-10)7-2-1-5-17-7/h1-5H,(H,13,15)
InChIKeyKJRGPWLOVXOIJE-UHFFFAOYSA-N
XLogP1.55
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332878
[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 66380521
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one
CID 67465258
5-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334548
5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 120835622
5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332769
2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66372888
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 99130250

Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one (CID 94069171) is 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one is O=c1ccc(-c2nc(-c3cccs3)no2)n[nH]1.
What is the InChIKey of 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one?
The InChIKey is KJRGPWLOVXOIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2S/c15-8-4-3-6(12-13-8)10-11-9(14-16-10)7-2-1-5-17-7/h1-5H,(H,13,15).
What are the key properties of 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one?
3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one has a molecular weight of 246.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 94069171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).