6-bromo-2-cyclopropylpyridazin-3-one

C7H7BrN2O — CID 121314031

IUPAC6-bromo-2-cyclopropylpyridazin-3-one
SMILESO=c1ccc(Br)nn1C1CC1
InChIInChI=1S/C7H7BrN2O/c8-6-3-4-7(11)10(9-6)5-1-2-5/h3-5H,1-2H2
InChIKeyQHOVHZIIMPSSDM-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.34
Rot. Bonds1

About 6-bromo-2-cyclopropylpyridazin-3-one

6-bromo-2-cyclopropylpyridazin-3-one (PubChem CID 121314031) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 6-bromo-2-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name6-bromo-2-cyclopropylpyridazin-3-one
PubChem CID121314031
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name6-bromo-2-cyclopropylpyridazin-3-one
SMILESO=c1ccc(Br)nn1C1CC1
InChIInChI=1S/C7H7BrN2O/c8-6-3-4-7(11)10(9-6)5-1-2-5/h3-5H,1-2H2
InChIKeyQHOVHZIIMPSSDM-UHFFFAOYSA-N
XLogP1.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropylpyridazin-3-one?
The IUPAC name of 6-bromo-2-cyclopropylpyridazin-3-one (CID 121314031) is 6-bromo-2-cyclopropylpyridazin-3-one.
What is the SMILES notation for 6-bromo-2-cyclopropylpyridazin-3-one?
The canonical SMILES for 6-bromo-2-cyclopropylpyridazin-3-one is O=c1ccc(Br)nn1C1CC1.
What is the InChIKey of 6-bromo-2-cyclopropylpyridazin-3-one?
The InChIKey is QHOVHZIIMPSSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-6-3-4-7(11)10(9-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 6-bromo-2-cyclopropylpyridazin-3-one?
6-bromo-2-cyclopropylpyridazin-3-one has a molecular weight of 215.05 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropylpyridazin-3-one is sourced from PubChem (CID 121314031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).