3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one

C13H10N4O2 — CID 94069176

IUPAC3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
SMILESCc1cccc(-c2noc(-c3ccc(=O)[nH]n3)n2)c1
InChIInChI=1S/C13H10N4O2/c1-8-3-2-4-9(7-8)12-14-13(19-17-12)10-5-6-11(18)16-15-10/h2-7H,1H3,(H,16,18)
InChIKeyOJZYGJSPMXWZAB-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.80
Rot. Bonds2

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

3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one (PubChem CID 94069176) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
PubChem CID94069176
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
SMILESCc1cccc(-c2noc(-c3ccc(=O)[nH]n3)n2)c1
InChIInChI=1S/C13H10N4O2/c1-8-3-2-4-9(7-8)12-14-13(19-17-12)10-5-6-11(18)16-15-10/h2-7H,1H3,(H,16,18)
InChIKeyOJZYGJSPMXWZAB-UHFFFAOYSA-N
XLogP1.80
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 42585031
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 91895139
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53022151
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
CID 94069171
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62471073
[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66381486
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104656670

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one (CID 94069176) is 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one is Cc1cccc(-c2noc(-c3ccc(=O)[nH]n3)n2)c1.
What is the InChIKey of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one?
The InChIKey is OJZYGJSPMXWZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-8-3-2-4-9(7-8)12-14-13(19-17-12)10-5-6-11(18)16-15-10/h2-7H,1H3,(H,16,18).
What are the key properties of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one?
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one has a molecular weight of 254.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 94069176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).