3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid

C11H12N4O3 — CID 104671890

IUPAC3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCc1cc(-c2nnc(CCC(=O)O)o2)c(C)nn1
InChIInChI=1S/C11H12N4O3/c1-6-5-8(7(2)13-12-6)11-15-14-9(18-11)3-4-10(16)17/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyGSDPRDGMGLOPQT-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.16
Rot. Bonds4

About 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid

3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 104671890) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID104671890
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESCc1cc(-c2nnc(CCC(=O)O)o2)c(C)nn1
InChIInChI=1S/C11H12N4O3/c1-6-5-8(7(2)13-12-6)11-15-14-9(18-11)3-4-10(16)17/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyGSDPRDGMGLOPQT-UHFFFAOYSA-N
XLogP1.16
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid (CID 104671890) is 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid is Cc1cc(-c2nnc(CCC(=O)O)o2)c(C)nn1.
What is the InChIKey of 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is GSDPRDGMGLOPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-6-5-8(7(2)13-12-6)11-15-14-9(18-11)3-4-10(16)17/h5H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 248.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 104671890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).