4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one

C14H17N3O4 — CID 82467469

IUPAC4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)c(-c2cc(N)c(=O)n(C)n2)c(OC)c1
InChIInChI=1S/C14H17N3O4/c1-17-14(18)9(15)7-10(16-17)13-11(20-3)5-8(19-2)6-12(13)21-4/h5-7H,15H2,1-4H3
InChIKeyVIBYJFNLEZNOJE-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.06
Rot. Bonds4

About 4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one

4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one (PubChem CID 82467469) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one
PubChem CID82467469
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)c(-c2cc(N)c(=O)n(C)n2)c(OC)c1
InChIInChI=1S/C14H17N3O4/c1-17-14(18)9(15)7-10(16-17)13-11(20-3)5-8(19-2)6-12(13)21-4/h5-7H,15H2,1-4H3
InChIKeyVIBYJFNLEZNOJE-UHFFFAOYSA-N
XLogP1.06
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-(2,4,6-trimethoxyphenyl)imidazol-4-amine
CID 62016972
4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one
CID 82467566
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559
6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one
CID 82444415
4-methoxy-2,6-dimethylpyridazin-3-one
CID 139521587
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
6-(5-amino-1-methylpyrazol-3-yl)-5-methoxy-1,3-benzoxathiol-2-one
CID 117444116
4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
CID 82467444
3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole
CID 71521229
5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 83662420
4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one
CID 82442655

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one (CID 82467469) is 4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one is COc1cc(OC)c(-c2cc(N)c(=O)n(C)n2)c(OC)c1.
What is the InChIKey of 4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one?
The InChIKey is VIBYJFNLEZNOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-17-14(18)9(15)7-10(16-17)13-11(20-3)5-8(19-2)6-12(13)21-4/h5-7H,15H2,1-4H3.
What are the key properties of 4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one?
4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one has a molecular weight of 291.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 82467469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).