6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one

C15H19N3O — CID 82442184

IUPAC6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one
SMILESCCn1nc(C(N)c2ccc(C)cc2C)ccc1=O
InChIInChI=1S/C15H19N3O/c1-4-18-14(19)8-7-13(17-18)15(16)12-6-5-10(2)9-11(12)3/h5-9,15H,4,16H2,1-3H3
InChIKeyLKSDJADWENVUKF-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.93
Rot. Bonds3

About 6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one

6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one (PubChem CID 82442184) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one
PubChem CID82442184
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one
SMILESCCn1nc(C(N)c2ccc(C)cc2C)ccc1=O
InChIInChI=1S/C15H19N3O/c1-4-18-14(19)8-7-13(17-18)15(16)12-6-5-10(2)9-11(12)3/h5-9,15H,4,16H2,1-3H3
InChIKeyLKSDJADWENVUKF-UHFFFAOYSA-N
XLogP1.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one
CID 82442644
2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one
CID 82167975
(2,4-dimethylphenyl)-quinolin-2-ylmethanamine
CID 63222466
6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442346
4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one
CID 82444883
4-[amino-(2,4-dimethylphenyl)methyl]-6-tert-butyl-2-methylpyridazin-3-one
CID 82443524
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 105002333
2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one
CID 167909243
ethene;2-ethyl-6-methylpyridazin-3-one
CID 159533733
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one?
The IUPAC name of 6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one (CID 82442184) is 6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one?
The canonical SMILES for 6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one is CCn1nc(C(N)c2ccc(C)cc2C)ccc1=O.
What is the InChIKey of 6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one?
The InChIKey is LKSDJADWENVUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-18-14(19)8-7-13(17-18)15(16)12-6-5-10(2)9-11(12)3/h5-9,15H,4,16H2,1-3H3.
What are the key properties of 6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one?
6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one has a molecular weight of 257.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one is sourced from PubChem (CID 82442184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).