2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid

C11H17N3O3 — CID 121206234

IUPAC2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid
SMILESCCCCN(C)c1ccc(OCC(=O)O)nn1
InChIInChI=1S/C11H17N3O3/c1-3-4-7-14(2)9-5-6-10(13-12-9)17-8-11(15)16/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyBDVUCHVRUIOYCM-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.18
Rot. Bonds7

About 2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid

2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid (PubChem CID 121206234) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid
PubChem CID121206234
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid
SMILESCCCCN(C)c1ccc(OCC(=O)O)nn1
InChIInChI=1S/C11H17N3O3/c1-3-4-7-14(2)9-5-6-10(13-12-9)17-8-11(15)16/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyBDVUCHVRUIOYCM-UHFFFAOYSA-N
XLogP1.18
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid?
The IUPAC name of 2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid (CID 121206234) is 2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid is CCCCN(C)c1ccc(OCC(=O)O)nn1.
What is the InChIKey of 2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid?
The InChIKey is BDVUCHVRUIOYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-4-7-14(2)9-5-6-10(13-12-9)17-8-11(15)16/h5-6H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid?
2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[butyl(methyl)amino]pyridazin-3-yl]oxyacetic acid is sourced from PubChem (CID 121206234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).