4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde

C16H18N6O2 — CID 109116940

IUPAC4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(NCc3ccccn3)nn2)CC1
InChIInChI=1S/C16H18N6O2/c23-12-21-7-9-22(10-8-21)16(24)14-4-5-15(20-19-14)18-11-13-3-1-2-6-17-13/h1-6,12H,7-11H2,(H,18,20)
InChIKeyMUGRYSDZANVYDE-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.40
Rot. Bonds5

About 4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde

4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109116940) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID109116940
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(NCc3ccccn3)nn2)CC1
InChIInChI=1S/C16H18N6O2/c23-12-21-7-9-22(10-8-21)16(24)14-4-5-15(20-19-14)18-11-13-3-1-2-6-17-13/h1-6,12H,7-11H2,(H,18,20)
InChIKeyMUGRYSDZANVYDE-UHFFFAOYSA-N
XLogP0.40
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917
6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109096906
4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116972
4-[5-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230732
4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417
4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116947
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
CID 109182557
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760

Frequently Asked Questions

What is the IUPAC name of 4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (CID 109116940) is 4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccc(NCc3ccccn3)nn2)CC1.
What is the InChIKey of 4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is MUGRYSDZANVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-12-21-7-9-22(10-8-21)16(24)14-4-5-15(20-19-14)18-11-13-3-1-2-6-17-13/h1-6,12H,7-11H2,(H,18,20).
What are the key properties of 4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 326.36 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109116940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).