4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one

C13H13Cl2N3O — CID 114437248

IUPAC4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCc2cccc(Cl)c2)c(Cl)c1=O
InChIInChI=1S/C13H13Cl2N3O/c1-2-18-13(19)12(15)11(8-17-18)16-7-9-4-3-5-10(14)6-9/h3-6,8,16H,2,7H2,1H3
InChIKeyYLJAGYNCRHKLRG-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.18
Rot. Bonds4

About 4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one

4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one (PubChem CID 114437248) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
PubChem CID114437248
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCc2cccc(Cl)c2)c(Cl)c1=O
InChIInChI=1S/C13H13Cl2N3O/c1-2-18-13(19)12(15)11(8-17-18)16-7-9-4-3-5-10(14)6-9/h3-6,8,16H,2,7H2,1H3
InChIKeyYLJAGYNCRHKLRG-UHFFFAOYSA-N
XLogP3.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one
CID 114433970
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114444519
4-[[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]methyl]benzonitrile
CID 114434042
4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114433908
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one
CID 114440676
4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one
CID 114694657
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784
4-chloro-2-ethyl-5-(hex-5-ynylamino)pyridazin-3-one
CID 106214539

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one (CID 114437248) is 4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one is CCn1ncc(NCc2cccc(Cl)c2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one?
The InChIKey is YLJAGYNCRHKLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-2-18-13(19)12(15)11(8-17-18)16-7-9-4-3-5-10(14)6-9/h3-6,8,16H,2,7H2,1H3.
What are the key properties of 4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one?
4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one has a molecular weight of 298.17 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one is sourced from PubChem (CID 114437248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).