4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one

C8H10Cl2N2O2 — CID 10105556

IUPAC4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCO
InChIInChI=1S/C8H10Cl2N2O2/c9-6-5-11-12(3-1-2-4-13)8(14)7(6)10/h5,13H,1-4H2
InChIKeyQJUWIVWJWRMKEN-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.32
Rot. Bonds4

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

4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one (PubChem CID 10105556) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one
PubChem CID10105556
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCCCO
InChIInChI=1S/C8H10Cl2N2O2/c9-6-5-11-12(3-1-2-4-13)8(14)7(6)10/h5,13H,1-4H2
InChIKeyQJUWIVWJWRMKEN-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one (CID 10105556) is 4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCCCO.
What is the InChIKey of 4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one?
The InChIKey is QJUWIVWJWRMKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c9-6-5-11-12(3-1-2-4-13)8(14)7(6)10/h5,13H,1-4H2.
What are the key properties of 4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one?
4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one has a molecular weight of 237.09 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 10105556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).