4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde

C20H24N6O2 — CID 109116803

IUPAC4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)nn2)CC1
InChIInChI=1S/C20H24N6O2/c27-16-23-8-10-25(11-9-23)19-7-6-18(21-22-19)20(28)26-14-12-24(13-15-26)17-4-2-1-3-5-17/h1-7,16H,8-15H2
InChIKeyMIPZRUFSNWUPHD-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.72
Rot. Bonds4

About 4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde

4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde (PubChem CID 109116803) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
PubChem CID109116803
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)nn2)CC1
InChIInChI=1S/C20H24N6O2/c27-16-23-8-10-25(11-9-23)19-7-6-18(21-22-19)20(28)26-14-12-24(13-15-26)17-4-2-1-3-5-17/h1-7,16H,8-15H2
InChIKeyMIPZRUFSNWUPHD-UHFFFAOYSA-N
XLogP0.72
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
4-[6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116815
4-[6-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345734
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109121734
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
CID 108530923
4-[2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302856
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109116837
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111932
4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
CID 110705200

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde (CID 109116803) is 4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde is O=CN1CCN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)nn2)CC1.
What is the InChIKey of 4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde?
The InChIKey is MIPZRUFSNWUPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-16-23-8-10-25(11-9-23)19-7-6-18(21-22-19)20(28)26-14-12-24(13-15-26)17-4-2-1-3-5-17/h1-7,16H,8-15H2.
What are the key properties of 4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde?
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde has a molecular weight of 380.45 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109116803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).