4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one

C16H21N3O2 — CID 82467631

IUPAC4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(N)c(=O)n(CC(C)C)n2)cc1C
InChIInChI=1S/C16H21N3O2/c1-10(2)9-19-16(20)13(17)8-14(18-19)12-5-6-15(21-4)11(3)7-12/h5-8,10H,9,17H2,1-4H3
InChIKeyWQZVKXVJUKBLKG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds4

About 4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one

4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82467631) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82467631
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(N)c(=O)n(CC(C)C)n2)cc1C
InChIInChI=1S/C16H21N3O2/c1-10(2)9-19-16(20)13(17)8-14(18-19)12-5-6-15(21-4)11(3)7-12/h5-8,10H,9,17H2,1-4H3
InChIKeyWQZVKXVJUKBLKG-UHFFFAOYSA-N
XLogP2.47
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467609
methyl 6-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 12971765
6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82105345
4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467618
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82447663
4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one
CID 82444490
6-(4-methoxy-3-methylphenyl)-2-methylpyridin-3-amine
CID 82467710
4-amino-2-(2-hydroxypropyl)-6-pyridin-4-ylpyridazin-3-one
CID 20527806
2-(4-methoxy-3-methylphenyl)imidazo[1,5-b]pyridazin-5-amine
CID 82381285
4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447397
6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82444501

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one (CID 82467631) is 4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one is COc1ccc(-c2cc(N)c(=O)n(CC(C)C)n2)cc1C.
What is the InChIKey of 4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is WQZVKXVJUKBLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)9-19-16(20)13(17)8-14(18-19)12-5-6-15(21-4)11(3)7-12/h5-8,10H,9,17H2,1-4H3.
What are the key properties of 4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 287.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82467631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).