5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one

C13H14ClN3O — CID 78989356

IUPAC5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one
SMILESCc1cccc(CCNc2cn[nH]c(=O)c2Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-9-3-2-4-10(7-9)5-6-15-11-8-16-17-13(18)12(11)14/h2-4,7-8H,5-6H2,1H3,(H2,15,17,18)
InChIKeyWYLVJZYNJCZBSU-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.39
Rot. Bonds4

About 5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one

5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one (PubChem CID 78989356) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one
PubChem CID78989356
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one
SMILESCc1cccc(CCNc2cn[nH]c(=O)c2Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-9-3-2-4-10(7-9)5-6-15-11-8-16-17-13(18)12(11)14/h2-4,7-8H,5-6H2,1H3,(H2,15,17,18)
InChIKeyWYLVJZYNJCZBSU-UHFFFAOYSA-N
XLogP2.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one
CID 48557349
N-[2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 47089936
5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
CID 78990669
5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 112730959
5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
CID 46682264
4-(but-3-ynylamino)-5-chloro-1H-pyridazin-6-one
CID 78959225
5-chloro-4-(3-methylsulfinylpropylamino)-1H-pyridazin-6-one
CID 115631406
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
5-chloro-4-[(2E)-2-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110340162
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide
CID 133292970
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one (CID 78989356) is 5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one is Cc1cccc(CCNc2cn[nH]c(=O)c2Cl)c1.
What is the InChIKey of 5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one?
The InChIKey is WYLVJZYNJCZBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-3-2-4-10(7-9)5-6-15-11-8-16-17-13(18)12(11)14/h2-4,7-8H,5-6H2,1H3,(H2,15,17,18).
What are the key properties of 5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one?
5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one has a molecular weight of 263.73 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 78989356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).