2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one

C18H15BrN2O2 — CID 46887066

IUPAC2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C18H15BrN2O2/c19-17-16(23-13-15-9-5-2-6-10-15)11-20-21(18(17)22)12-14-7-3-1-4-8-14/h1-11H,12-13H2
InChIKeyFXJLZJCKUOCPNG-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.63
Rot. Bonds5

About 2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one

2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one (PubChem CID 46887066) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one
PubChem CID46887066
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C18H15BrN2O2/c19-17-16(23-13-15-9-5-2-6-10-15)11-20-21(18(17)22)12-14-7-3-1-4-8-14/h1-11H,12-13H2
InChIKeyFXJLZJCKUOCPNG-UHFFFAOYSA-N
XLogP3.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one?
The IUPAC name of 2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one (CID 46887066) is 2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one?
The canonical SMILES for 2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one is O=c1c(Br)c(OCc2ccccc2)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one?
The InChIKey is FXJLZJCKUOCPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c19-17-16(23-13-15-9-5-2-6-10-15)11-20-21(18(17)22)12-14-7-3-1-4-8-14/h1-11H,12-13H2.
What are the key properties of 2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one?
2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one has a molecular weight of 371.23 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-bromo-5-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 46887066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).