5-amino-2-benzyl-4-bromopyridazin-3-one

C11H10BrN3O — CID 125494178

IUPAC5-amino-2-benzyl-4-bromopyridazin-3-one
SMILESNc1cnn(Cc2ccccc2)c(=O)c1Br
InChIInChI=1S/C11H10BrN3O/c12-10-9(13)6-14-15(11(10)16)7-8-4-2-1-3-5-8/h1-6H,7,13H2
InChIKeyIIQAZTJKBGDKNI-UHFFFAOYSA-N
MW280.12 g/mol
LogP1.64
Rot. Bonds2

About 5-amino-2-benzyl-4-bromopyridazin-3-one

5-amino-2-benzyl-4-bromopyridazin-3-one (PubChem CID 125494178) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 5-amino-2-benzyl-4-bromopyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-benzyl-4-bromopyridazin-3-one
PubChem CID125494178
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name5-amino-2-benzyl-4-bromopyridazin-3-one
SMILESNc1cnn(Cc2ccccc2)c(=O)c1Br
InChIInChI=1S/C11H10BrN3O/c12-10-9(13)6-14-15(11(10)16)7-8-4-2-1-3-5-8/h1-6H,7,13H2
InChIKeyIIQAZTJKBGDKNI-UHFFFAOYSA-N
XLogP1.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-diamino-2-benzylpyridazin-3-one
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2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine
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2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
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1-benzyl-4-bromo-5-methylpyrazole
CID 15129851
2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
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5-amino-4-bromo-2-[(2E)-2-hydroxyiminopropyl]pyridazin-3-one
CID 177416446
2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
CID 53475520
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
4,5-dibromo-2-[(4-tert-butylphenyl)methyl]pyridazin-3-one
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4-benzoyl-2-benzyl-5-chloropyridazin-3-one
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-benzyl-4-bromopyridazin-3-one?
The IUPAC name of 5-amino-2-benzyl-4-bromopyridazin-3-one (CID 125494178) is 5-amino-2-benzyl-4-bromopyridazin-3-one.
What is the SMILES notation for 5-amino-2-benzyl-4-bromopyridazin-3-one?
The canonical SMILES for 5-amino-2-benzyl-4-bromopyridazin-3-one is Nc1cnn(Cc2ccccc2)c(=O)c1Br.
What is the InChIKey of 5-amino-2-benzyl-4-bromopyridazin-3-one?
The InChIKey is IIQAZTJKBGDKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-10-9(13)6-14-15(11(10)16)7-8-4-2-1-3-5-8/h1-6H,7,13H2.
What are the key properties of 5-amino-2-benzyl-4-bromopyridazin-3-one?
5-amino-2-benzyl-4-bromopyridazin-3-one has a molecular weight of 280.12 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-benzyl-4-bromopyridazin-3-one is sourced from PubChem (CID 125494178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).