6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid

C14H24N4O2 — CID 102994003

IUPAC6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
SMILESCCN(CC)CCCN(CC)c1ccc(C(=O)O)nn1
InChIInChI=1S/C14H24N4O2/c1-4-17(5-2)10-7-11-18(6-3)13-9-8-12(14(19)20)15-16-13/h8-9H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyYEQZLAWFSQSWIU-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.73
Rot. Bonds9

About 6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid

6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid (PubChem CID 102994003) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
PubChem CID102994003
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
SMILESCCN(CC)CCCN(CC)c1ccc(C(=O)O)nn1
InChIInChI=1S/C14H24N4O2/c1-4-17(5-2)10-7-11-18(6-3)13-9-8-12(14(19)20)15-16-13/h8-9H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyYEQZLAWFSQSWIU-UHFFFAOYSA-N
XLogP1.73
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid
CID 102994014
6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
CID 82956314
6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54985072
6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54990351
[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]methanol
CID 102996028
6-(dibenzylamino)pyridazine-3-carboxylic acid
CID 127018558
2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102994009
6-(dimethylamino)pyridazine-3-carboxylic acid;hydrochloride
CID 91623623
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate
CID 121206161
6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid
CID 61442957
1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol
CID 102994915
2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 102994032

Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid (CID 102994003) is 6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid is CCN(CC)CCCN(CC)c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid?
The InChIKey is YEQZLAWFSQSWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-17(5-2)10-7-11-18(6-3)13-9-8-12(14(19)20)15-16-13/h8-9H,4-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of 6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid?
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 102994003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).