4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde

C18H21N5O2 — CID 109116999

IUPAC4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCCN(c1ccccc1)c1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C18H21N5O2/c1-2-23(15-6-4-3-5-7-15)17-9-8-16(19-20-17)18(25)22-12-10-21(14-24)11-13-22/h3-9,14H,2,10-13H2,1H3
InChIKeyILNGJNCBNFOTDO-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.55
Rot. Bonds5

About 4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde

4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109116999) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID109116999
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCCN(c1ccccc1)c1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C18H21N5O2/c1-2-23(15-6-4-3-5-7-15)17-9-8-16(19-20-17)18(25)22-12-10-21(14-24)11-13-22/h3-9,14H,2,10-13H2,1H3
InChIKeyILNGJNCBNFOTDO-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112719
4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116981
ethyl 4-[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123908
[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114792
4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
CID 110705200
[5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274357
[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367085
N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084799
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803
[6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114694
azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone
CID 109124285
6-(N-ethylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115714

Frequently Asked Questions

What is the IUPAC name of 4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (CID 109116999) is 4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is CCN(c1ccccc1)c1ccc(C(=O)N2CCN(C=O)CC2)nn1.
What is the InChIKey of 4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is ILNGJNCBNFOTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-23(15-6-4-3-5-7-15)17-9-8-16(19-20-17)18(25)22-12-10-21(14-24)11-13-22/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 339.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109116999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).