2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one

C13H14BrN3O — CID 114396882

IUPAC2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(Cc2ccc(Br)cc2)c(=O)c1
InChIInChI=1S/C13H14BrN3O/c1-16(2)12-7-13(18)17(15-8-12)9-10-3-5-11(14)6-4-10/h3-8H,9H2,1-2H3
InChIKeySPISYTYDRJALBT-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.12
Rot. Bonds3

About 2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one

2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 114396882) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID114396882
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(Cc2ccc(Br)cc2)c(=O)c1
InChIInChI=1S/C13H14BrN3O/c1-16(2)12-7-13(18)17(15-8-12)9-10-3-5-11(14)6-4-10/h3-8H,9H2,1-2H3
InChIKeySPISYTYDRJALBT-UHFFFAOYSA-N
XLogP2.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396920
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide
CID 72893419
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzohydrazide
CID 114398355
2-[(4-bromo-3-nitrophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114395531
2-[(3-bromothiophen-2-yl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114396887
2-[(4-amino-2-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393483
5-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-fluorobenzoic acid
CID 107881028
2-[(3-bromo-2,6-difluorophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 106269647
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788475
5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 114396959
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977
5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one
CID 29088974

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one (CID 114396882) is 2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(Cc2ccc(Br)cc2)c(=O)c1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is SPISYTYDRJALBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-16(2)12-7-13(18)17(15-8-12)9-10-3-5-11(14)6-4-10/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one?
2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 308.18 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114396882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).