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

C10H10N4O3 — CID 104672245

IUPAC5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCCc1nnc(C)cc1-c1nc(C(=O)O)no1
InChIInChI=1S/C10H10N4O3/c1-3-7-6(4-5(2)12-13-7)9-11-8(10(15)16)14-17-9/h4H,3H2,1-2H3,(H,15,16)
InChIKeyODXWMEKPPSTLKS-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.10
Rot. Bonds3

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

5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 104672245) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID104672245
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCCc1nnc(C)cc1-c1nc(C(=O)O)no1
InChIInChI=1S/C10H10N4O3/c1-3-7-6(4-5(2)12-13-7)9-11-8(10(15)16)14-17-9/h4H,3H2,1-2H3,(H,15,16)
InChIKeyODXWMEKPPSTLKS-UHFFFAOYSA-N
XLogP1.10
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136905901
5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631981
1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 104672137
5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104672075
5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 79807517
5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 107983761
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104672077
5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
CID 104670086
5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 82663419
5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one
CID 104672911
2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid
CID 104673061
4-ethyl-3-(3-ethyl-6-methylpyridazin-4-yl)-1,2-oxazol-5-amine
CID 113439304

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 104672245) is 5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid is CCc1nnc(C)cc1-c1nc(C(=O)O)no1.
What is the InChIKey of 5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is ODXWMEKPPSTLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-3-7-6(4-5(2)12-13-7)9-11-8(10(15)16)14-17-9/h4H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.10, 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)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 104672245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).