5-bromo-1H-pyridazin-6-one

C4H3BrN2O — CID 13103616

IUPAC5-bromo-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1Br
InChIInChI=1S/C4H3BrN2O/c5-3-1-2-6-7-4(3)8/h1-2H,(H,7,8)
InChIKeyNGHYNQXIQNWYLA-UHFFFAOYSA-N
MW174.99 g/mol
LogP0.53
Rot. Bonds

About 5-bromo-1H-pyridazin-6-one

5-bromo-1H-pyridazin-6-one (PubChem CID 13103616) has the molecular formula C4H3BrN2O and a molecular weight of 174.99 g/mol. Its IUPAC name is 5-bromo-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-1H-pyridazin-6-one
PubChem CID13103616
Molecular FormulaC4H3BrN2O
Molecular Weight174.99 g/mol
Exact Mass173.94
IUPAC Name5-bromo-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1Br
InChIInChI=1S/C4H3BrN2O/c5-3-1-2-6-7-4(3)8/h1-2H,(H,7,8)
InChIKeyNGHYNQXIQNWYLA-UHFFFAOYSA-N
XLogP0.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.99
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-1H-pyridazin-6-one (CID 13103616) is 5-bromo-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-1H-pyridazin-6-one is O=c1[nH]nccc1Br.
What is the InChIKey of 5-bromo-1H-pyridazin-6-one?
The InChIKey is NGHYNQXIQNWYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2O/c5-3-1-2-6-7-4(3)8/h1-2H,(H,7,8).
What are the key properties of 5-bromo-1H-pyridazin-6-one?
5-bromo-1H-pyridazin-6-one has a molecular weight of 174.99 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyridazin-6-one is sourced from PubChem (CID 13103616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).