2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one

C9H9BrN2OS — CID 22054378

IUPAC2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one
SMILESCCc1nn(C)c(=O)c2cc(Br)sc12
InChIInChI=1S/C9H9BrN2OS/c1-3-6-8-5(4-7(10)14-8)9(13)12(2)11-6/h4H,3H2,1-2H3
InChIKeyZYQVKMMNWSKEAX-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.32
Rot. Bonds1

About 2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one

2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one (PubChem CID 22054378) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one
PubChem CID22054378
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one
SMILESCCc1nn(C)c(=O)c2cc(Br)sc12
InChIInChI=1S/C9H9BrN2OS/c1-3-6-8-5(4-7(10)14-8)9(13)12(2)11-6/h4H,3H2,1-2H3
InChIKeyZYQVKMMNWSKEAX-UHFFFAOYSA-N
XLogP2.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one (CID 22054378) is 2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one is CCc1nn(C)c(=O)c2cc(Br)sc12.
What is the InChIKey of 2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one?
The InChIKey is ZYQVKMMNWSKEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-3-6-8-5(4-7(10)14-8)9(13)12(2)11-6/h4H,3H2,1-2H3.
What are the key properties of 2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one?
2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one has a molecular weight of 273.16 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 22054378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).