4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one

C13H12ClF2N3O — CID 133302214

IUPAC4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C13H12ClF2N3O/c1-19-13(20)12(14)11(7-18-19)17-5-4-8-2-3-9(15)6-10(8)16/h2-3,6-7,17H,4-5H2,1H3
InChIKeyNKJGLFJYONSLFW-UHFFFAOYSA-N
MW299.71 g/mol
LogP2.37
Rot. Bonds4

About 4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one

4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one (PubChem CID 133302214) has the molecular formula C13H12ClF2N3O and a molecular weight of 299.71 g/mol. Its IUPAC name is 4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one
PubChem CID133302214
Molecular FormulaC13H12ClF2N3O
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C13H12ClF2N3O/c1-19-13(20)12(14)11(7-18-19)17-5-4-8-2-3-9(15)6-10(8)16/h2-3,6-7,17H,4-5H2,1H3
InChIKeyNKJGLFJYONSLFW-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
CID 115613225
4-chloro-5-[2-(3,4-difluorophenoxy)ethylamino]-2-methylpyridazin-3-one
CID 133291718
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 102675428
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one
CID 51932024
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one
CID 12919579
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
CID 114444517
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one (CID 133302214) is 4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one is Cn1ncc(NCCc2ccc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one?
The InChIKey is NKJGLFJYONSLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O/c1-19-13(20)12(14)11(7-18-19)17-5-4-8-2-3-9(15)6-10(8)16/h2-3,6-7,17H,4-5H2,1H3.
What are the key properties of 4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one?
4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one has a molecular weight of 299.71 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133302214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).