4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one

C10H14Cl2N2O2 — CID 103793367

IUPAC4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCCCO
InChIInChI=1S/C10H14Cl2N2O2/c11-8-7-13-14(10(16)9(8)12)5-3-1-2-4-6-15/h7,15H,1-6H2
InChIKeyREGMBMFQPZZJCL-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.10
Rot. Bonds6

About 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one

4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one (PubChem CID 103793367) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one
PubChem CID103793367
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCCCO
InChIInChI=1S/C10H14Cl2N2O2/c11-8-7-13-14(10(16)9(8)12)5-3-1-2-4-6-15/h7,15H,1-6H2
InChIKeyREGMBMFQPZZJCL-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-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

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one (CID 103793367) is 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCCCCCO.
What is the InChIKey of 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one?
The InChIKey is REGMBMFQPZZJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c11-8-7-13-14(10(16)9(8)12)5-3-1-2-4-6-15/h7,15H,1-6H2.
What are the key properties of 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one?
4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one has a molecular weight of 265.14 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(6-hydroxyhexyl)pyridazin-3-one is sourced from PubChem (CID 103793367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).