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

C7H5BrN2OS — CID 168889424

IUPAC2-bromo-5-methylthieno[2,3-d]pyridazin-4-one
SMILESCn1ncc2sc(Br)cc2c1=O
InChIInChI=1S/C7H5BrN2OS/c1-10-7(11)4-2-6(8)12-5(4)3-9-10/h2-3H,1H3
InChIKeyVDUIMUILZACJKX-UHFFFAOYSA-N
MW245.10 g/mol
LogP1.76
Rot. Bonds

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

2-bromo-5-methylthieno[2,3-d]pyridazin-4-one (PubChem CID 168889424) has the molecular formula C7H5BrN2OS and a molecular weight of 245.10 g/mol. Its IUPAC name is 2-bromo-5-methylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-bromo-5-methylthieno[2,3-d]pyridazin-4-one
PubChem CID168889424
Molecular FormulaC7H5BrN2OS
Molecular Weight245.10 g/mol
Exact Mass243.93
IUPAC Name2-bromo-5-methylthieno[2,3-d]pyridazin-4-one
SMILESCn1ncc2sc(Br)cc2c1=O
InChIInChI=1S/C7H5BrN2OS/c1-10-7(11)4-2-6(8)12-5(4)3-9-10/h2-3H,1H3
InChIKeyVDUIMUILZACJKX-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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Related Compounds

3-Bromo-5-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyridazin-4-one
CID 171436864
3-Bromo-5-(2,2,2-trifluoroethyl)thieno[2,3-d]pyridazin-4-one
CID 171437508
2-Bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one
CID 22054378
2-Bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 69363852
2-Bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one
CID 69364754
5-Methylthieno[2,3-d]pyridazin-4-one
CID 89246575
2-Bromothieno[2,3-d]pyridazin-4(5H)-one
CID 118992788
2-bromo-6H-thieno[2,3-d]pyridazin-7-one
CID 168226677
3-Bromo-5-ethylthieno[2,3-d]pyridazin-4-one
CID 169964226
3-Bromo-5-butan-2-ylthieno[2,3-d]pyridazin-4-one
CID 169964383
3-Bromo-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 169964487
5-Ethylthieno[2,3-d]pyridazin-4-one
CID 170196210

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 2-bromo-5-methylthieno[2,3-d]pyridazin-4-one (CID 168889424) is 2-bromo-5-methylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-bromo-5-methylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-bromo-5-methylthieno[2,3-d]pyridazin-4-one is Cn1ncc2sc(Br)cc2c1=O.
What is the InChIKey of 2-bromo-5-methylthieno[2,3-d]pyridazin-4-one?
The InChIKey is VDUIMUILZACJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2OS/c1-10-7(11)4-2-6(8)12-5(4)3-9-10/h2-3H,1H3.
What are the key properties of 2-bromo-5-methylthieno[2,3-d]pyridazin-4-one?
2-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 2-bromo-5-methylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 168889424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).