5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C13H17N5O — CID 104672075

IUPAC5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCc1nnc(C)cc1-c1nc(C2CCCN2)no1
InChIInChI=1S/C13H17N5O/c1-3-10-9(7-8(2)16-17-10)13-15-12(18-19-13)11-5-4-6-14-11/h7,11,14H,3-6H2,1-2H3
InChIKeyOKXGVPIMZGGVQU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.82
Rot. Bonds3

About 5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 104672075) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID104672075
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCc1nnc(C)cc1-c1nc(C2CCCN2)no1
InChIInChI=1S/C13H17N5O/c1-3-10-9(7-8(2)16-17-10)13-15-12(18-19-13)11-5-4-6-14-11/h7,11,14H,3-6H2,1-2H3
InChIKeyOKXGVPIMZGGVQU-UHFFFAOYSA-N
XLogP1.82
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104672077
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916819
3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole
CID 104541133
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole
CID 65207261
3-(azepan-2-yl)-5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole
CID 103972121
5-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812597
5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106753992
5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 54944807
3-pyrrolidin-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 65152589
5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104879912

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 104672075) is 5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is CCc1nnc(C)cc1-c1nc(C2CCCN2)no1.
What is the InChIKey of 5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is OKXGVPIMZGGVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-10-9(7-8(2)16-17-10)13-15-12(18-19-13)11-5-4-6-14-11/h7,11,14H,3-6H2,1-2H3.
What are the key properties of 5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 104672075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).