4,5-dichloro-2-pent-4-enylpyridazin-3-one

C9H10Cl2N2O — CID 115633875

IUPAC4,5-dichloro-2-pent-4-enylpyridazin-3-one
SMILESC=CCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H10Cl2N2O/c1-2-3-4-5-13-9(14)8(11)7(10)6-12-13/h2,6H,1,3-5H2
InChIKeyXWLSRXTXVACRRL-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.52
Rot. Bonds4

About 4,5-dichloro-2-pent-4-enylpyridazin-3-one

4,5-dichloro-2-pent-4-enylpyridazin-3-one (PubChem CID 115633875) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 4,5-dichloro-2-pent-4-enylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-pent-4-enylpyridazin-3-one
PubChem CID115633875
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name4,5-dichloro-2-pent-4-enylpyridazin-3-one
SMILESC=CCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H10Cl2N2O/c1-2-3-4-5-13-9(14)8(11)7(10)6-12-13/h2,6H,1,3-5H2
InChIKeyXWLSRXTXVACRRL-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-dichloro-2-pent-4-enylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Allyl-4,5-dichloropyridazin-3(2H)-one
CID 10774590
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4,5-dichloro-2-(2-methyl-2-propenyl)-3(2H)-pyridazinone
CID 23039515
4,5-Dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one
CID 67903355
5-Chloro-2,4-bis(prop-2-enyl)pyridazin-3-one
CID 67915403
4,5-dichloro-2-[(2Z,4Z)-5-methylhepta-2,4,6-trienyl]pyridazin-3-one
CID 126524354
2-Butyl-4-chloropyridazin-3-one
CID 126723919
4,5-dichloro-2-[(2E)-2-ethenylpenta-2,4-dienyl]pyridazin-3-one
CID 145299025
4,5-Dichloro-2-hept-6-enylpyridazin-3-one
CID 107009996
2-[(E)-but-2-enyl]-4,5-dichloropyridazin-3-one
CID 114386487
4,5-Dichloro-2-(3-methylbut-3-enyl)pyridazin-3-one
CID 114447898
5-Iodo-2-pent-4-enylpyridazin-3-one
CID 114553368

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-pent-4-enylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-pent-4-enylpyridazin-3-one (CID 115633875) is 4,5-dichloro-2-pent-4-enylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-pent-4-enylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-pent-4-enylpyridazin-3-one is C=CCCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-pent-4-enylpyridazin-3-one?
The InChIKey is XWLSRXTXVACRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-2-3-4-5-13-9(14)8(11)7(10)6-12-13/h2,6H,1,3-5H2.
What are the key properties of 4,5-dichloro-2-pent-4-enylpyridazin-3-one?
4,5-dichloro-2-pent-4-enylpyridazin-3-one has a molecular weight of 233.10 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-pent-4-enylpyridazin-3-one is sourced from PubChem (CID 115633875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).