2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one

C10H11BrN2O2S — CID 176653420

IUPAC2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one
SMILESCOC(C)Cn1ncc2sc(Br)cc2c1=O
InChIInChI=1S/C10H11BrN2O2S/c1-6(15-2)5-13-10(14)7-3-9(11)16-8(7)4-12-13/h3-4,6H,5H2,1-2H3
InChIKeyPLLLCBSNZVSXFS-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.26
Rot. Bonds3

About 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one

2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one (PubChem CID 176653420) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one
PubChem CID176653420
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one
SMILESCOC(C)Cn1ncc2sc(Br)cc2c1=O
InChIInChI=1S/C10H11BrN2O2S/c1-6(15-2)5-13-10(14)7-3-9(11)16-8(7)4-12-13/h3-4,6H,5H2,1-2H3
InChIKeyPLLLCBSNZVSXFS-UHFFFAOYSA-N
XLogP2.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-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 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one?
The IUPAC name of 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one (CID 176653420) is 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one is COC(C)Cn1ncc2sc(Br)cc2c1=O.
What is the InChIKey of 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one?
The InChIKey is PLLLCBSNZVSXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-6(15-2)5-13-10(14)7-3-9(11)16-8(7)4-12-13/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one?
2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one has a molecular weight of 303.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methoxypropyl)thieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 176653420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).