2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium

C18H26N3O+ — CID 7672172

IUPAC2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium
SMILESCC[NH+](CC)CCn1nc(-c2cc(C)ccc2C)ccc1=O
InChIInChI=1S/C18H25N3O/c1-5-20(6-2)11-12-21-18(22)10-9-17(19-21)16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3/p+1
InChIKeyDJMNWAREQNWTDO-UHFFFAOYSA-O
MW300.43 g/mol
LogP1.45
Rot. Bonds6

About 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium

2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium (PubChem CID 7672172) has the molecular formula C18H26N3O+ and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium
PubChem CID7672172
Molecular FormulaC18H26N3O+
Molecular Weight300.43 g/mol
Exact Mass300.21
IUPAC Name2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium
SMILESCC[NH+](CC)CCn1nc(-c2cc(C)ccc2C)ccc1=O
InChIInChI=1S/C18H25N3O/c1-5-20(6-2)11-12-21-18(22)10-9-17(19-21)16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3/p+1
InChIKeyDJMNWAREQNWTDO-UHFFFAOYSA-O
XLogP1.45
TPSA39.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one
CID 7672173
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 121051941
6-(2,5-dimethylphenyl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
CID 7672166
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
CID 121051905
N-(2-chloro-4-methylphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609008
4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one
CID 82444883
6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
CID 7666040
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7672092
2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one
CID 82167975
methyl (2S)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7672051
6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one
CID 82105402
N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051925

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium?
The IUPAC name of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium (CID 7672172) is 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium.
What is the SMILES notation for 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium?
The canonical SMILES for 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium is CC[NH+](CC)CCn1nc(-c2cc(C)ccc2C)ccc1=O.
What is the InChIKey of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium?
The InChIKey is DJMNWAREQNWTDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O/c1-5-20(6-2)11-12-21-18(22)10-9-17(19-21)16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3/p+1.
What are the key properties of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium?
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium has a molecular weight of 300.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium is sourced from PubChem (CID 7672172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).