1-benzylpyridazin-4-one

C11H10N2O — CID 67375734

IUPAC1-benzylpyridazin-4-one
SMILESO=c1ccn(Cc2ccccc2)nc1
InChIInChI=1S/C11H10N2O/c14-11-6-7-13(12-8-11)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyVYRJRGDSDSUKGQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.29
Rot. Bonds2

About 1-benzylpyridazin-4-one

1-benzylpyridazin-4-one (PubChem CID 67375734) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-benzylpyridazin-4-one.

Molecular Properties

Compound Name1-benzylpyridazin-4-one
PubChem CID67375734
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-benzylpyridazin-4-one
SMILESO=c1ccn(Cc2ccccc2)nc1
InChIInChI=1S/C11H10N2O/c14-11-6-7-13(12-8-11)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyVYRJRGDSDSUKGQ-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1-benzylpyrazol-3-yl)pyridine
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1-(1-benzylpyrazol-4-yl)-2-nitropropan-1-ol
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(1-benzylpyrazol-4-yl)methylhydrazine
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1-benzyltriazole
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3-(1-benzylpyrazol-4-yl)piperazin-2-one
CID 131025961
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
1-benzyl-2-methylpyridin-4-one
CID 154013206
1-benzyl-4-(2-fluorophenoxy)pyrazole
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Frequently Asked Questions

What is the IUPAC name of 1-benzylpyridazin-4-one?
The IUPAC name of 1-benzylpyridazin-4-one (CID 67375734) is 1-benzylpyridazin-4-one.
What is the SMILES notation for 1-benzylpyridazin-4-one?
The canonical SMILES for 1-benzylpyridazin-4-one is O=c1ccn(Cc2ccccc2)nc1.
What is the InChIKey of 1-benzylpyridazin-4-one?
The InChIKey is VYRJRGDSDSUKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-11-6-7-13(12-8-11)9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-benzylpyridazin-4-one?
1-benzylpyridazin-4-one has a molecular weight of 186.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyridazin-4-one is sourced from PubChem (CID 67375734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).