2-benzyl-5-phenylpyridazin-3-one

C17H14N2O — CID 71418083

IUPAC2-benzyl-5-phenylpyridazin-3-one
SMILESO=c1cc(-c2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C17H14N2O/c20-17-11-16(15-9-5-2-6-10-15)12-18-19(17)13-14-7-3-1-4-8-14/h1-12H,13H2
InChIKeyBCSYIFBIZNCPSU-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.96
Rot. Bonds3

About 2-benzyl-5-phenylpyridazin-3-one

2-benzyl-5-phenylpyridazin-3-one (PubChem CID 71418083) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-benzyl-5-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5-phenylpyridazin-3-one
PubChem CID71418083
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-benzyl-5-phenylpyridazin-3-one
SMILESO=c1cc(-c2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C17H14N2O/c20-17-11-16(15-9-5-2-6-10-15)12-18-19(17)13-14-7-3-1-4-8-14/h1-12H,13H2
InChIKeyBCSYIFBIZNCPSU-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-phenylpyridazin-3-one?
The IUPAC name of 2-benzyl-5-phenylpyridazin-3-one (CID 71418083) is 2-benzyl-5-phenylpyridazin-3-one.
What is the SMILES notation for 2-benzyl-5-phenylpyridazin-3-one?
The canonical SMILES for 2-benzyl-5-phenylpyridazin-3-one is O=c1cc(-c2ccccc2)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-phenylpyridazin-3-one?
The InChIKey is BCSYIFBIZNCPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-11-16(15-9-5-2-6-10-15)12-18-19(17)13-14-7-3-1-4-8-14/h1-12H,13H2.
What are the key properties of 2-benzyl-5-phenylpyridazin-3-one?
2-benzyl-5-phenylpyridazin-3-one has a molecular weight of 262.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-phenylpyridazin-3-one is sourced from PubChem (CID 71418083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).