4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one

C16H16Cl2N2O — CID 134962840

IUPAC4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one
SMILESC=CC(CCCc1ccccc1)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C16H16Cl2N2O/c1-2-13(10-6-9-12-7-4-3-5-8-12)20-16(21)15(18)14(17)11-19-20/h2-5,7-8,11,13H,1,6,9-10H2
InChIKeyQTNTZQUWWNBHBY-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.30
Rot. Bonds6

About 4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one

4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one (PubChem CID 134962840) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one
PubChem CID134962840
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one
SMILESC=CC(CCCc1ccccc1)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C16H16Cl2N2O/c1-2-13(10-6-9-12-7-4-3-5-8-12)20-16(21)15(18)14(17)11-19-20/h2-5,7-8,11,13H,1,6,9-10H2
InChIKeyQTNTZQUWWNBHBY-UHFFFAOYSA-N
XLogP4.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one (CID 134962840) is 4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one is C=CC(CCCc1ccccc1)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one?
The InChIKey is QTNTZQUWWNBHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-2-13(10-6-9-12-7-4-3-5-8-12)20-16(21)15(18)14(17)11-19-20/h2-5,7-8,11,13H,1,6,9-10H2.
What are the key properties of 4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one?
4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one has a molecular weight of 323.22 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(6-phenylhex-1-en-3-yl)pyridazin-3-one is sourced from PubChem (CID 134962840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).