2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde

C11H15N3O2 — CID 86658690

IUPAC2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde
SMILESCn1ncc(N2CCCCC2)c(C=O)c1=O
InChIInChI=1S/C11H15N3O2/c1-13-11(16)9(8-15)10(7-12-13)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyPUJXZVXHFGBMID-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.58
Rot. Bonds2

About 2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde

2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde (PubChem CID 86658690) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde
PubChem CID86658690
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde
SMILESCn1ncc(N2CCCCC2)c(C=O)c1=O
InChIInChI=1S/C11H15N3O2/c1-13-11(16)9(8-15)10(7-12-13)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyPUJXZVXHFGBMID-UHFFFAOYSA-N
XLogP0.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde?
The IUPAC name of 2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde (CID 86658690) is 2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde.
What is the SMILES notation for 2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde?
The canonical SMILES for 2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde is Cn1ncc(N2CCCCC2)c(C=O)c1=O.
What is the InChIKey of 2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde?
The InChIKey is PUJXZVXHFGBMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-11(16)9(8-15)10(7-12-13)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3.
What are the key properties of 2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde?
2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-5-piperidin-1-ylpyridazine-4-carbaldehyde is sourced from PubChem (CID 86658690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).