4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one

C10H13ClF3N3O2S — CID 102809284

IUPAC4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCCSC(F)(F)F)c(Cl)c1=O
InChIInChI=1S/C10H13ClF3N3O2S/c1-19-4-3-17-9(18)8(11)7(6-16-17)15-2-5-20-10(12,13)14/h6,15H,2-5H2,1H3
InChIKeySBIRHUFAZRKRGL-UHFFFAOYSA-N
MW331.75 g/mol
LogP2.21
Rot. Bonds7

About 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one (PubChem CID 102809284) has the molecular formula C10H13ClF3N3O2S and a molecular weight of 331.75 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
PubChem CID102809284
Molecular FormulaC10H13ClF3N3O2S
Molecular Weight331.75 g/mol
Exact Mass331.04
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCCSC(F)(F)F)c(Cl)c1=O
InChIInChI=1S/C10H13ClF3N3O2S/c1-19-4-3-17-9(18)8(11)7(6-16-17)15-2-5-20-10(12,13)14/h6,15H,2-5H2,1H3
InChIKeySBIRHUFAZRKRGL-UHFFFAOYSA-N
XLogP2.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]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

Related Compounds

4-Chloro-2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 36250548
4-Chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 102698960
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-methylpyridazin-3-one
CID 103081449
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
4-Chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 104854507
4-Chloro-5-(2-ethylsulfonylethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 105779701
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 105912970
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 105913020
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-propylpyridazin-3-one
CID 105913105
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 105913141
2-Butyl-4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]pyridazin-3-one
CID 105913143
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 105913269

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one (CID 102809284) is 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one is COCCn1ncc(NCCSC(F)(F)F)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one?
The InChIKey is SBIRHUFAZRKRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O2S/c1-19-4-3-17-9(18)8(11)7(6-16-17)15-2-5-20-10(12,13)14/h6,15H,2-5H2,1H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one has a molecular weight of 331.75 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 102809284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).