3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid

C9H13N3O2 — CID 165348789

IUPAC3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid
SMILESCN(C)c1ccc(CCC(=O)O)nn1
InChIInChI=1S/C9H13N3O2/c1-12(2)8-5-3-7(10-11-8)4-6-9(13)14/h3,5H,4,6H2,1-2H3,(H,13,14)
InChIKeyZATRAJLVWHPUDG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.56
Rot. Bonds4

About 3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid

3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid (PubChem CID 165348789) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid
PubChem CID165348789
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid
SMILESCN(C)c1ccc(CCC(=O)O)nn1
InChIInChI=1S/C9H13N3O2/c1-12(2)8-5-3-7(10-11-8)4-6-9(13)14/h3,5H,4,6H2,1-2H3,(H,13,14)
InChIKeyZATRAJLVWHPUDG-UHFFFAOYSA-N
XLogP0.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid?
The IUPAC name of 3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid (CID 165348789) is 3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid?
The canonical SMILES for 3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid is CN(C)c1ccc(CCC(=O)O)nn1.
What is the InChIKey of 3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid?
The InChIKey is ZATRAJLVWHPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12(2)8-5-3-7(10-11-8)4-6-9(13)14/h3,5H,4,6H2,1-2H3,(H,13,14).
What are the key properties of 3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid?
3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid is sourced from PubChem (CID 165348789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).