4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one

C14H15ClFN3O2 — CID 114432267

IUPAC4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccccc2F)cnn1CCO
InChIInChI=1S/C14H15ClFN3O2/c15-13-12(9-18-19(7-8-20)14(13)21)17-6-5-10-3-1-2-4-11(10)16/h1-4,9,17,20H,5-8H2
InChIKeyJASQMOYSAKMMMT-UHFFFAOYSA-N
MW311.74 g/mol
LogP1.68
Rot. Bonds6

About 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one

4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114432267) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114432267
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccccc2F)cnn1CCO
InChIInChI=1S/C14H15ClFN3O2/c15-13-12(9-18-19(7-8-20)14(13)21)17-6-5-10-3-1-2-4-11(10)16/h1-4,9,17,20H,5-8H2
InChIKeyJASQMOYSAKMMMT-UHFFFAOYSA-N
XLogP1.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)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-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one (CID 114432267) is 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one is O=c1c(Cl)c(NCCc2ccccc2F)cnn1CCO.
What is the InChIKey of 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is JASQMOYSAKMMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c15-13-12(9-18-19(7-8-20)14(13)21)17-6-5-10-3-1-2-4-11(10)16/h1-4,9,17,20H,5-8H2.
What are the key properties of 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 311.74 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114432267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).