3-bromo-4,5-dihydro-1H-pyridazin-6-one

C4H5BrN2O — CID 66905029

IUPAC3-bromo-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(Br)=NN1
InChIInChI=1S/C4H5BrN2O/c5-3-1-2-4(8)7-6-3/h1-2H2,(H,7,8)
InChIKeyMRLOIRWZHRICRK-UHFFFAOYSA-N
MW177.00 g/mol
LogP0.60
Rot. Bonds

About 3-bromo-4,5-dihydro-1H-pyridazin-6-one

3-bromo-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 66905029) has the molecular formula C4H5BrN2O and a molecular weight of 177.00 g/mol. Its IUPAC name is 3-bromo-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-bromo-4,5-dihydro-1H-pyridazin-6-one
PubChem CID66905029
Molecular FormulaC4H5BrN2O
Molecular Weight177.00 g/mol
Exact Mass175.96
IUPAC Name3-bromo-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(Br)=NN1
InChIInChI=1S/C4H5BrN2O/c5-3-1-2-4(8)7-6-3/h1-2H2,(H,7,8)
InChIKeyMRLOIRWZHRICRK-UHFFFAOYSA-N
XLogP0.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.00
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-bromo-4,5-dihydro-1H-pyridazin-6-one (CID 66905029) is 3-bromo-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-bromo-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-bromo-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(Br)=NN1.
What is the InChIKey of 3-bromo-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is MRLOIRWZHRICRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O/c5-3-1-2-4(8)7-6-3/h1-2H2,(H,7,8).
What are the key properties of 3-bromo-4,5-dihydro-1H-pyridazin-6-one?
3-bromo-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 177.00 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 66905029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).