4-[6-(diethylamino)pyridazin-3-yl]benzoic acid

C15H17N3O2 — CID 155510702

IUPAC4-[6-(diethylamino)pyridazin-3-yl]benzoic acid
SMILESCCN(CC)c1ccc(-c2ccc(C(=O)O)cc2)nn1
InChIInChI=1S/C15H17N3O2/c1-3-18(4-2)14-10-9-13(16-17-14)11-5-7-12(8-6-11)15(19)20/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyZUHSWUTYKIRAOB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.69
Rot. Bonds5

About 4-[6-(diethylamino)pyridazin-3-yl]benzoic acid

4-[6-(diethylamino)pyridazin-3-yl]benzoic acid (PubChem CID 155510702) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[6-(diethylamino)pyridazin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(diethylamino)pyridazin-3-yl]benzoic acid
PubChem CID155510702
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[6-(diethylamino)pyridazin-3-yl]benzoic acid
SMILESCCN(CC)c1ccc(-c2ccc(C(=O)O)cc2)nn1
InChIInChI=1S/C15H17N3O2/c1-3-18(4-2)14-10-9-13(16-17-14)11-5-7-12(8-6-11)15(19)20/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyZUHSWUTYKIRAOB-UHFFFAOYSA-N
XLogP2.69
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methoxymethyl]benzoate
CID 56658563
Ethyl 4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]benzoate
CID 56668931
Ethyl 4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]oxymethyl]benzoate
CID 56682411
Ethyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate
CID 71528507
(R)-4-(1-(5-cyano-6-methylpyridin-2-yl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl)benzoic acid
CID 58064741
4-[6-[4-(6-Fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]benzoic acid
CID 76325599
Ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate
CID 56682410
Methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate
CID 155524831
1-[4-[6-(Diethylamino)pyridazin-3-yl]phenyl]ethanone
CID 155536829
Methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate
CID 155515513
Ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate
CID 71528375
Ethyl 2-(6-morpholin-4-ylpyridazin-3-yl)benzoate
CID 71528376

Frequently Asked Questions

What is the IUPAC name of 4-[6-(diethylamino)pyridazin-3-yl]benzoic acid?
The IUPAC name of 4-[6-(diethylamino)pyridazin-3-yl]benzoic acid (CID 155510702) is 4-[6-(diethylamino)pyridazin-3-yl]benzoic acid.
What is the SMILES notation for 4-[6-(diethylamino)pyridazin-3-yl]benzoic acid?
The canonical SMILES for 4-[6-(diethylamino)pyridazin-3-yl]benzoic acid is CCN(CC)c1ccc(-c2ccc(C(=O)O)cc2)nn1.
What is the InChIKey of 4-[6-(diethylamino)pyridazin-3-yl]benzoic acid?
The InChIKey is ZUHSWUTYKIRAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-18(4-2)14-10-9-13(16-17-14)11-5-7-12(8-6-11)15(19)20/h5-10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 4-[6-(diethylamino)pyridazin-3-yl]benzoic acid?
4-[6-(diethylamino)pyridazin-3-yl]benzoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(diethylamino)pyridazin-3-yl]benzoic acid is sourced from PubChem (CID 155510702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).