4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one

C16H21N3O — CID 82444883

IUPAC4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2cc(C)ccc2C)cc(C(C)N)c1=O
InChIInChI=1S/C16H21N3O/c1-5-19-16(20)14(12(4)17)9-15(18-19)13-8-10(2)6-7-11(13)3/h6-9,12H,5,17H2,1-4H3
InChIKeyFUJVDVWJJMKLNZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.57
Rot. Bonds3

About 4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one

4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one (PubChem CID 82444883) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one
PubChem CID82444883
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2cc(C)ccc2C)cc(C(C)N)c1=O
InChIInChI=1S/C16H21N3O/c1-5-19-16(20)14(12(4)17)9-15(18-19)13-8-10(2)6-7-11(13)3/h6-9,12H,5,17H2,1-4H3
InChIKeyFUJVDVWJJMKLNZ-UHFFFAOYSA-N
XLogP2.57
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775
4-(aminomethyl)-2-butyl-6-(2,5-dimethylphenyl)pyridazin-3-one
CID 82447107
4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447529
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde
CID 82444815
6-(2,5-dimethylphenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446704
2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one
CID 7672173
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile
CID 82444814
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium
CID 7672172
2-[6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444824
6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one
CID 82442184
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82445242

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one?
The IUPAC name of 4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one (CID 82444883) is 4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one is CCn1nc(-c2cc(C)ccc2C)cc(C(C)N)c1=O.
What is the InChIKey of 4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one?
The InChIKey is FUJVDVWJJMKLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-19-16(20)14(12(4)17)9-15(18-19)13-8-10(2)6-7-11(13)3/h6-9,12H,5,17H2,1-4H3.
What are the key properties of 4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one?
4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 82444883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).