2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one

C11H11BrN2OS — CID 69364044

IUPAC2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one
SMILESCCn1nc(C2CC2)c2sc(Br)cc2c1=O
InChIInChI=1S/C11H11BrN2OS/c1-2-14-11(15)7-5-8(12)16-10(7)9(13-14)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyWFDVJBUTUUZEKJ-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.12
Rot. Bonds2

About 2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one

2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one (PubChem CID 69364044) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one
PubChem CID69364044
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one
SMILESCCn1nc(C2CC2)c2sc(Br)cc2c1=O
InChIInChI=1S/C11H11BrN2OS/c1-2-14-11(15)7-5-8(12)16-10(7)9(13-14)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyWFDVJBUTUUZEKJ-UHFFFAOYSA-N
XLogP3.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one (CID 69364044) is 2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one is CCn1nc(C2CC2)c2sc(Br)cc2c1=O.
What is the InChIKey of 2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one?
The InChIKey is WFDVJBUTUUZEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-2-14-11(15)7-5-8(12)16-10(7)9(13-14)6-3-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one?
2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one has a molecular weight of 299.19 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 69364044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).