4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one

C15H19N3O3 — CID 82442655

IUPAC4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one
SMILESCOc1ccc(C(N)c2cc(C)nn(C)c2=O)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-9-7-12(15(19)18(2)17-9)14(16)11-6-5-10(20-3)8-13(11)21-4/h5-8,14H,16H2,1-4H3
InChIKeySBDGUBLHHIQDGO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.15
Rot. Bonds4

About 4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one

4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one (PubChem CID 82442655) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one
PubChem CID82442655
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one
SMILESCOc1ccc(C(N)c2cc(C)nn(C)c2=O)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-9-7-12(15(19)18(2)17-9)14(16)11-6-5-10(20-3)8-13(11)21-4/h5-8,14H,16H2,1-4H3
InChIKeySBDGUBLHHIQDGO-UHFFFAOYSA-N
XLogP1.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one
CID 82442644
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
4-methoxy-2,6-dimethylpyridazin-3-one
CID 139521587
(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397454
(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
3-[amino-(2,4-dimethoxyphenyl)methyl]-1-cyclopropylpyridin-2-one
CID 82527055
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105145174
(2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840532
(2,5-dichlorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43093792

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one?
The IUPAC name of 4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one (CID 82442655) is 4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one is COc1ccc(C(N)c2cc(C)nn(C)c2=O)c(OC)c1.
What is the InChIKey of 4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one?
The InChIKey is SBDGUBLHHIQDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-7-12(15(19)18(2)17-9)14(16)11-6-5-10(20-3)8-13(11)21-4/h5-8,14H,16H2,1-4H3.
What are the key properties of 4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one?
4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one has a molecular weight of 289.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 82442655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).