6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid

C13H21N3O4 — CID 82956314

IUPAC6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
SMILESCCOCCN(CCOCC)c1ccc(C(=O)O)nn1
InChIInChI=1S/C13H21N3O4/c1-3-19-9-7-16(8-10-20-4-2)12-6-5-11(13(17)18)14-15-12/h5-6H,3-4,7-10H2,1-2H3,(H,17,18)
InChIKeyIVRZCSFKGDSGHB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.05
Rot. Bonds10

About 6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid

6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid (PubChem CID 82956314) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
PubChem CID82956314
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
SMILESCCOCCN(CCOCC)c1ccc(C(=O)O)nn1
InChIInChI=1S/C13H21N3O4/c1-3-19-9-7-16(8-10-20-4-2)12-6-5-11(13(17)18)14-15-12/h5-6H,3-4,7-10H2,1-2H3,(H,17,18)
InChIKeyIVRZCSFKGDSGHB-UHFFFAOYSA-N
XLogP1.05
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid
CID 82960320
6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54990351
6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine
CID 82961078
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
CID 102994003
6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54985072
1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone
CID 82950852
6-[2-ethoxyethyl(methyl)amino]-N-phenylpyridazine-3-carboxamide
CID 133445922
6-(dibenzylamino)pyridazine-3-carboxylic acid
CID 127018558
6-(dimethylamino)pyridazine-3-carboxylic acid;hydrochloride
CID 91623623
N-(2-ethoxyethyl)-N-ethyl-6-(ethylaminomethyl)pyridazin-3-amine
CID 63691768
N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 63691498

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid (CID 82956314) is 6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid is CCOCCN(CCOCC)c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid?
The InChIKey is IVRZCSFKGDSGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-3-19-9-7-16(8-10-20-4-2)12-6-5-11(13(17)18)14-15-12/h5-6H,3-4,7-10H2,1-2H3,(H,17,18).
What are the key properties of 6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid?
6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 1.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 82956314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).