4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one

C16H21N3O2 — CID 82447529

IUPAC4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one
SMILESCOCCn1nc(-c2ccc(C)cc2)cc(C(C)N)c1=O
InChIInChI=1S/C16H21N3O2/c1-11-4-6-13(7-5-11)15-10-14(12(2)17)16(20)19(18-15)8-9-21-3/h4-7,10,12H,8-9,17H2,1-3H3
InChIKeyPJDOPBLIIVYQHX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.88
Rot. Bonds5

About 4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one

4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 82447529) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one
PubChem CID82447529
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one
SMILESCOCCn1nc(-c2ccc(C)cc2)cc(C(C)N)c1=O
InChIInChI=1S/C16H21N3O2/c1-11-4-6-13(7-5-11)15-10-14(12(2)17)16(20)19(18-15)8-9-21-3/h4-7,10,12H,8-9,17H2,1-3H3
InChIKeyPJDOPBLIIVYQHX-UHFFFAOYSA-N
XLogP1.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 82301479
4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
CID 82447655
4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one
CID 82444034
4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one
CID 82444883
4-amino-6-(2,4-dimethylphenyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82467643
6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde
CID 82447606
2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82447663
3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82520184
2-(2-methoxyethyl)-6-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442504
2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447051
4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
CID 82467437
methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde
CID 145260273

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one (CID 82447529) is 4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one is COCCn1nc(-c2ccc(C)cc2)cc(C(C)N)c1=O.
What is the InChIKey of 4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is PJDOPBLIIVYQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-6-13(7-5-11)15-10-14(12(2)17)16(20)19(18-15)8-9-21-3/h4-7,10,12H,8-9,17H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one?
4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 287.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 82447529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).