4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one

C11H18ClN3O2 — CID 114436615

IUPAC4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
SMILESCCn1ncc(NCC(C)COC)c(Cl)c1=O
InChIInChI=1S/C11H18ClN3O2/c1-4-15-11(16)10(12)9(6-14-15)13-5-8(2)7-17-3/h6,8,13H,4-5,7H2,1-3H3
InChIKeyLCTAROQKRMBRTF-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.61
Rot. Bonds6

About 4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one

4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one (PubChem CID 114436615) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
PubChem CID114436615
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
SMILESCCn1ncc(NCC(C)COC)c(Cl)c1=O
InChIInChI=1S/C11H18ClN3O2/c1-4-15-11(16)10(12)9(6-14-15)13-5-8(2)7-17-3/h6,8,13H,4-5,7H2,1-3H3
InChIKeyLCTAROQKRMBRTF-UHFFFAOYSA-N
XLogP1.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]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-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one (CID 114436615) is 4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one is CCn1ncc(NCC(C)COC)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one?
The InChIKey is LCTAROQKRMBRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-4-15-11(16)10(12)9(6-14-15)13-5-8(2)7-17-3/h6,8,13H,4-5,7H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one?
4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one has a molecular weight of 259.74 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one is sourced from PubChem (CID 114436615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).