5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one

C8H5BrN4OS — CID 10826974

IUPAC5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(Sc2ncccn2)c1Br
InChIInChI=1S/C8H5BrN4OS/c9-6-5(4-12-13-7(6)14)15-8-10-2-1-3-11-8/h1-4H,(H,13,14)
InChIKeySGUMYEMOFDSDQA-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.47
Rot. Bonds2

About 5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one

5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one (PubChem CID 10826974) has the molecular formula C8H5BrN4OS and a molecular weight of 285.13 g/mol. Its IUPAC name is 5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one
PubChem CID10826974
Molecular FormulaC8H5BrN4OS
Molecular Weight285.13 g/mol
Exact Mass283.94
IUPAC Name5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(Sc2ncccn2)c1Br
InChIInChI=1S/C8H5BrN4OS/c9-6-5(4-12-13-7(6)14)15-8-10-2-1-3-11-8/h1-4H,(H,13,14)
InChIKeySGUMYEMOFDSDQA-UHFFFAOYSA-N
XLogP1.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one (CID 10826974) is 5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one is O=c1[nH]ncc(Sc2ncccn2)c1Br.
What is the InChIKey of 5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one?
The InChIKey is SGUMYEMOFDSDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4OS/c9-6-5(4-12-13-7(6)14)15-8-10-2-1-3-11-8/h1-4H,(H,13,14).
What are the key properties of 5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one?
5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one has a molecular weight of 285.13 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-pyrimidin-2-ylsulfanyl-1H-pyridazin-6-one is sourced from PubChem (CID 10826974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).