7-phenyl-1-pyridazin-3-ylheptan-1-one

C17H20N2O — CID 24951319

IUPAC7-phenyl-1-pyridazin-3-ylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1cccnn1
InChIInChI=1S/C17H20N2O/c20-17(16-12-8-14-18-19-16)13-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-12,14H,1-2,4,7,9,13H2
InChIKeyDXGZKZUTNHLJNE-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.85
Rot. Bonds8

About 7-phenyl-1-pyridazin-3-ylheptan-1-one

7-phenyl-1-pyridazin-3-ylheptan-1-one (PubChem CID 24951319) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 7-phenyl-1-pyridazin-3-ylheptan-1-one.

Molecular Properties

Compound Name7-phenyl-1-pyridazin-3-ylheptan-1-one
PubChem CID24951319
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name7-phenyl-1-pyridazin-3-ylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1cccnn1
InChIInChI=1S/C17H20N2O/c20-17(16-12-8-14-18-19-16)13-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-12,14H,1-2,4,7,9,13H2
InChIKeyDXGZKZUTNHLJNE-UHFFFAOYSA-N
XLogP3.85
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.85
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 7-phenyl-1-pyridazin-3-ylheptan-1-one?
The IUPAC name of 7-phenyl-1-pyridazin-3-ylheptan-1-one (CID 24951319) is 7-phenyl-1-pyridazin-3-ylheptan-1-one.
What is the SMILES notation for 7-phenyl-1-pyridazin-3-ylheptan-1-one?
The canonical SMILES for 7-phenyl-1-pyridazin-3-ylheptan-1-one is O=C(CCCCCCc1ccccc1)c1cccnn1.
What is the InChIKey of 7-phenyl-1-pyridazin-3-ylheptan-1-one?
The InChIKey is DXGZKZUTNHLJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(16-12-8-14-18-19-16)13-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-12,14H,1-2,4,7,9,13H2.
What are the key properties of 7-phenyl-1-pyridazin-3-ylheptan-1-one?
7-phenyl-1-pyridazin-3-ylheptan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-pyridazin-3-ylheptan-1-one is sourced from PubChem (CID 24951319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).