2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde

C11H15N3O2 — CID 114396121

IUPAC2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
SMILESO=CCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C11H15N3O2/c15-7-6-14-11(16)8-10(9-12-14)13-4-2-1-3-5-13/h7-9H,1-6H2
InChIKeyOQMTZYQGYQZCBJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.43
Rot. Bonds3

About 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde

2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde (PubChem CID 114396121) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
PubChem CID114396121
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
SMILESO=CCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C11H15N3O2/c15-7-6-14-11(16)8-10(9-12-14)13-4-2-1-3-5-13/h7-9H,1-6H2
InChIKeyOQMTZYQGYQZCBJ-UHFFFAOYSA-N
XLogP0.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.43
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

2-[(E)-4-chlorobut-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394198
ethyl (E)-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)but-2-enoate
CID 114393911
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397548
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72921157
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114393541
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114396804
potassium trifluoro-[3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746473

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde?
The IUPAC name of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde (CID 114396121) is 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde is O=CCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde?
The InChIKey is OQMTZYQGYQZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-7-6-14-11(16)8-10(9-12-14)13-4-2-1-3-5-13/h7-9H,1-6H2.
What are the key properties of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde?
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde has a molecular weight of 221.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde is sourced from PubChem (CID 114396121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).