2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one

C14H15BrFN3O — CID 103220063

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2cc(F)ccc2Br)c(=O)c1
InChIInChI=1S/C14H15BrFN3O/c1-2-5-17-12-7-14(20)19(18-8-12)9-10-6-11(16)3-4-13(10)15/h3-4,6-8,17H,2,5,9H2,1H3
InChIKeyYPOKQVDGQUYEOV-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.02
Rot. Bonds5

About 2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one

2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one (PubChem CID 103220063) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
PubChem CID103220063
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2cc(F)ccc2Br)c(=O)c1
InChIInChI=1S/C14H15BrFN3O/c1-2-5-17-12-7-14(20)19(18-8-12)9-10-6-11(16)3-4-13(10)15/h3-4,6-8,17H,2,5,9H2,1H3
InChIKeyYPOKQVDGQUYEOV-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220213
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218479
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 103218930
2-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223623
2-[(2-bromo-3-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223694
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 107067014

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one (CID 103220063) is 2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one is CCCNc1cnn(Cc2cc(F)ccc2Br)c(=O)c1.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one?
The InChIKey is YPOKQVDGQUYEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-2-5-17-12-7-14(20)19(18-8-12)9-10-6-11(16)3-4-13(10)15/h3-4,6-8,17H,2,5,9H2,1H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one?
2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one has a molecular weight of 340.20 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).