5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one

C13H14ClN3O — CID 82445739

IUPAC5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
SMILESCC(C)(N)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C13H14ClN3O/c1-13(2,15)10-7-11(16-17-12(10)18)8-3-5-9(14)6-4-8/h3-7H,15H2,1-2H3,(H,17,18)
InChIKeyGKEFKKQSDXZTJD-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.28
Rot. Bonds2

About 5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one

5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one (PubChem CID 82445739) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
PubChem CID82445739
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
SMILESCC(C)(N)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C13H14ClN3O/c1-13(2,15)10-7-11(16-17-12(10)18)8-3-5-9(14)6-4-8/h3-7H,15H2,1-2H3,(H,17,18)
InChIKeyGKEFKKQSDXZTJD-UHFFFAOYSA-N
XLogP2.28
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850813
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445741
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 82445812
5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one
CID 136965927
1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine
CID 68667695
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 119521772
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83849137
3-(4-chlorophenyl)-5-ethyl-1H-pyrazole
CID 123618516
3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one
CID 82446409
4-tert-butyl-6-(4-chlorophenyl)-2-methylpyridin-3-amine
CID 142310931

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one (CID 82445739) is 5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one is CC(C)(N)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O.
What is the InChIKey of 5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one?
The InChIKey is GKEFKKQSDXZTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-13(2,15)10-7-11(16-17-12(10)18)8-3-5-9(14)6-4-8/h3-7H,15H2,1-2H3,(H,17,18).
What are the key properties of 5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one?
5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one has a molecular weight of 263.73 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).