4-decan-5-yl-1H-pyridazin-6-one

C14H24N2O — CID 135218256

IUPAC4-decan-5-yl-1H-pyridazin-6-one
SMILESCCCCCC(CCCC)c1cn[nH]c(=O)c1
InChIInChI=1S/C14H24N2O/c1-3-5-7-9-12(8-6-4-2)13-10-14(17)16-15-11-13/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyHJKNTVAGOSZKPP-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.62
Rot. Bonds8

About 4-decan-5-yl-1H-pyridazin-6-one

4-decan-5-yl-1H-pyridazin-6-one (PubChem CID 135218256) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-decan-5-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-decan-5-yl-1H-pyridazin-6-one
PubChem CID135218256
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-decan-5-yl-1H-pyridazin-6-one
SMILESCCCCCC(CCCC)c1cn[nH]c(=O)c1
InChIInChI=1S/C14H24N2O/c1-3-5-7-9-12(8-6-4-2)13-10-14(17)16-15-11-13/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyHJKNTVAGOSZKPP-UHFFFAOYSA-N
XLogP3.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-decan-5-yl-1H-pyridazin-6-one?
The IUPAC name of 4-decan-5-yl-1H-pyridazin-6-one (CID 135218256) is 4-decan-5-yl-1H-pyridazin-6-one.
What is the SMILES notation for 4-decan-5-yl-1H-pyridazin-6-one?
The canonical SMILES for 4-decan-5-yl-1H-pyridazin-6-one is CCCCCC(CCCC)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-decan-5-yl-1H-pyridazin-6-one?
The InChIKey is HJKNTVAGOSZKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-7-9-12(8-6-4-2)13-10-14(17)16-15-11-13/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-decan-5-yl-1H-pyridazin-6-one?
4-decan-5-yl-1H-pyridazin-6-one has a molecular weight of 236.36 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decan-5-yl-1H-pyridazin-6-one is sourced from PubChem (CID 135218256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).