4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one

C13H13ClFN3O — CID 51932024

IUPAC4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one
SMILESC[C@@H](Nc1cnn(C)c(=O)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H13ClFN3O/c1-8(9-3-5-10(15)6-4-9)17-11-7-16-18(2)13(19)12(11)14/h3-8,17H,1-2H3/t8-/m1/s1
InChIKeyCGTXVHJTWCTRDJ-MRVPVSSYSA-N
MW281.72 g/mol
LogP2.75
Rot. Bonds3

About 4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one

4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one (PubChem CID 51932024) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one
PubChem CID51932024
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one
SMILESC[C@@H](Nc1cnn(C)c(=O)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H13ClFN3O/c1-8(9-3-5-10(15)6-4-9)17-11-7-16-18(2)13(19)12(11)14/h3-8,17H,1-2H3/t8-/m1/s1
InChIKeyCGTXVHJTWCTRDJ-MRVPVSSYSA-N
XLogP2.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
CID 115577699
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one
CID 114431888
5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114447317
4-chloro-5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylpyridazin-3-one
CID 115580005
4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
CID 114434311
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435836
4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one
CID 133302214
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
4-chloro-2-methyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridazin-3-one
CID 114417786
4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one
CID 133302491
4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one
CID 133375230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one (CID 51932024) is 4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one is C[C@@H](Nc1cnn(C)c(=O)c1Cl)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one?
The InChIKey is CGTXVHJTWCTRDJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-8(9-3-5-10(15)6-4-9)17-11-7-16-18(2)13(19)12(11)14/h3-8,17H,1-2H3/t8-/m1/s1.
What are the key properties of 4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one?
4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one has a molecular weight of 281.72 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 51932024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).