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

C16H25N5O2 — CID 109116981

IUPAC4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCCCN(CCC)c1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C16H25N5O2/c1-3-7-20(8-4-2)15-6-5-14(17-18-15)16(23)21-11-9-19(13-22)10-12-21/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyIDPRPGRKMVGSLZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.02
Rot. Bonds7

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

4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109116981) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID109116981
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCCCN(CCC)c1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C16H25N5O2/c1-3-7-20(8-4-2)15-6-5-14(17-18-15)16(23)21-11-9-19(13-22)10-12-21/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyIDPRPGRKMVGSLZ-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.02
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

4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116999
4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
CID 110705200
azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone
CID 109124285
4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417
4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116972
4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
CID 109046369
6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109116830
ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123862
[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109352116
6-(dipropylamino)-N-propylpyridazine-3-carboxamide
CID 109109285
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803
4-[6-(2,4,6-trimethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117003

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (CID 109116981) is 4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is CCCN(CCC)c1ccc(C(=O)N2CCN(C=O)CC2)nn1.
What is the InChIKey of 4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is IDPRPGRKMVGSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-7-20(8-4-2)15-6-5-14(17-18-15)16(23)21-11-9-19(13-22)10-12-21/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 319.41 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109116981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).