2,6-dipentylpyridazin-3-one

C14H24N2O — CID 67710586

IUPAC2,6-dipentylpyridazin-3-one
SMILESCCCCCc1ccc(=O)n(CCCCC)n1
InChIInChI=1S/C14H24N2O/c1-3-5-7-9-13-10-11-14(17)16(15-13)12-8-6-4-2/h10-11H,3-9,12H2,1-2H3
InChIKeyOWEPZJKROGJKGZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.17
Rot. Bonds8

About 2,6-dipentylpyridazin-3-one

2,6-dipentylpyridazin-3-one (PubChem CID 67710586) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,6-dipentylpyridazin-3-one.

Molecular Properties

Compound Name2,6-dipentylpyridazin-3-one
PubChem CID67710586
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,6-dipentylpyridazin-3-one
SMILESCCCCCc1ccc(=O)n(CCCCC)n1
InChIInChI=1S/C14H24N2O/c1-3-5-7-9-13-10-11-14(17)16(15-13)12-8-6-4-2/h10-11H,3-9,12H2,1-2H3
InChIKeyOWEPZJKROGJKGZ-UHFFFAOYSA-N
XLogP3.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,6-dipentylpyridazin-3-one?
The IUPAC name of 2,6-dipentylpyridazin-3-one (CID 67710586) is 2,6-dipentylpyridazin-3-one.
What is the SMILES notation for 2,6-dipentylpyridazin-3-one?
The canonical SMILES for 2,6-dipentylpyridazin-3-one is CCCCCc1ccc(=O)n(CCCCC)n1.
What is the InChIKey of 2,6-dipentylpyridazin-3-one?
The InChIKey is OWEPZJKROGJKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-7-9-13-10-11-14(17)16(15-13)12-8-6-4-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2,6-dipentylpyridazin-3-one?
2,6-dipentylpyridazin-3-one has a molecular weight of 236.36 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipentylpyridazin-3-one is sourced from PubChem (CID 67710586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).