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

C7H5BrN2OS — CID 73012614

IUPAC3-bromo-5-methylthieno[2,3-d]pyridazin-4-one
SMILESCn1ncc2scc(Br)c2c1=O
InChIInChI=1S/C7H5BrN2OS/c1-10-7(11)6-4(8)3-12-5(6)2-9-10/h2-3H,1H3
InChIKeyJCJBHROQFSPWFE-UHFFFAOYSA-N
MW245.10 g/mol
LogP1.76
Rot. Bonds

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

3-bromo-5-methylthieno[2,3-d]pyridazin-4-one (PubChem CID 73012614) has the molecular formula C7H5BrN2OS and a molecular weight of 245.10 g/mol. Its IUPAC name is 3-bromo-5-methylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name3-bromo-5-methylthieno[2,3-d]pyridazin-4-one
PubChem CID73012614
Molecular FormulaC7H5BrN2OS
Molecular Weight245.10 g/mol
Exact Mass243.93
IUPAC Name3-bromo-5-methylthieno[2,3-d]pyridazin-4-one
SMILESCn1ncc2scc(Br)c2c1=O
InChIInChI=1S/C7H5BrN2OS/c1-10-7(11)6-4(8)3-12-5(6)2-9-10/h2-3H,1H3
InChIKeyJCJBHROQFSPWFE-UHFFFAOYSA-N
XLogP1.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 3-bromo-5-methylthieno[2,3-d]pyridazin-4-one (CID 73012614) is 3-bromo-5-methylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 3-bromo-5-methylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 3-bromo-5-methylthieno[2,3-d]pyridazin-4-one is Cn1ncc2scc(Br)c2c1=O.
What is the InChIKey of 3-bromo-5-methylthieno[2,3-d]pyridazin-4-one?
The InChIKey is JCJBHROQFSPWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2OS/c1-10-7(11)6-4(8)3-12-5(6)2-9-10/h2-3H,1H3.
What are the key properties of 3-bromo-5-methylthieno[2,3-d]pyridazin-4-one?
3-bromo-5-methylthieno[2,3-d]pyridazin-4-one has a molecular weight of 245.10 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 73012614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).