2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde

C16H24N2O3 — CID 136623324

IUPAC2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde
SMILESCC(C)c1nn(CCC2CCCCC2)c(=O)c(C=O)c1O
InChIInChI=1S/C16H24N2O3/c1-11(2)14-15(20)13(10-19)16(21)18(17-14)9-8-12-6-4-3-5-7-12/h10-12,20H,3-9H2,1-2H3
InChIKeyFBWSKULVAXLLSL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.86
Rot. Bonds5

About 2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde

2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde (PubChem CID 136623324) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde
PubChem CID136623324
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde
SMILESCC(C)c1nn(CCC2CCCCC2)c(=O)c(C=O)c1O
InChIInChI=1S/C16H24N2O3/c1-11(2)14-15(20)13(10-19)16(21)18(17-14)9-8-12-6-4-3-5-7-12/h10-12,20H,3-9H2,1-2H3
InChIKeyFBWSKULVAXLLSL-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
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-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde?
The IUPAC name of 2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde (CID 136623324) is 2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde.
What is the SMILES notation for 2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde?
The canonical SMILES for 2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde is CC(C)c1nn(CCC2CCCCC2)c(=O)c(C=O)c1O.
What is the InChIKey of 2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde?
The InChIKey is FBWSKULVAXLLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)14-15(20)13(10-19)16(21)18(17-14)9-8-12-6-4-3-5-7-12/h10-12,20H,3-9H2,1-2H3.
What are the key properties of 2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde?
2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde has a molecular weight of 292.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carbaldehyde is sourced from PubChem (CID 136623324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).