2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one

C14H15BrFN3O — CID 114396929

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2ccc(F)cc2Br)c(=O)c1
InChIInChI=1S/C14H15BrFN3O/c1-3-18(2)12-7-14(20)19(17-8-12)9-10-4-5-11(16)6-13(10)15/h4-8H,3,9H2,1-2H3
InChIKeyQWIMHKPLAKAWBI-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.65
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one

2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114396929) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114396929
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2ccc(F)cc2Br)c(=O)c1
InChIInChI=1S/C14H15BrFN3O/c1-3-18(2)12-7-14(20)19(17-8-12)9-10-4-5-11(16)6-13(10)15/h4-8H,3,9H2,1-2H3
InChIKeyQWIMHKPLAKAWBI-UHFFFAOYSA-N
XLogP2.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-2-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393483
2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393589
5-(3-aminopropoxy)-2-[(2-bromo-4-fluorophenyl)methyl]pyridazin-3-one
CID 103223296
2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397276
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220063
2-[(3-bromo-2,6-difluorophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 106269647
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-[(2-amino-4-chlorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393646
5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one
CID 103057777

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114396929) is 2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(Cc2ccc(F)cc2Br)c(=O)c1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is QWIMHKPLAKAWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-3-18(2)12-7-14(20)19(17-8-12)9-10-4-5-11(16)6-13(10)15/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 340.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).