3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one

C13H15N3O2 — CID 82467326

IUPAC3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one
SMILESCCOc1ccccc1-n1nc(N)c(=O)cc1C
InChIInChI=1S/C13H15N3O2/c1-3-18-12-7-5-4-6-10(12)16-9(2)8-11(17)13(14)15-16/h4-8H,3H2,1-2H3,(H2,14,15)
InChIKeyHRTWGHUAYWCNLA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.52
Rot. Bonds3

About 3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one

3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one (PubChem CID 82467326) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one
PubChem CID82467326
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one
SMILESCCOc1ccccc1-n1nc(N)c(=O)cc1C
InChIInChI=1S/C13H15N3O2/c1-3-18-12-7-5-4-6-10(12)16-9(2)8-11(17)13(14)15-16/h4-8H,3H2,1-2H3,(H2,14,15)
InChIKeyHRTWGHUAYWCNLA-UHFFFAOYSA-N
XLogP1.52
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803
5-amino-1-(2-ethoxyphenyl)-2-methylpyridin-4-one
CID 82467325
3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35514756
[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760268
N-[(2-ethoxyphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 60565851
1-(2-ethoxyphenyl)pyrazol-3-amine
CID 82396867
3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82419522
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419537
[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82527967
2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420300
1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361782
5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one
CID 67328478

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one (CID 82467326) is 3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one is CCOc1ccccc1-n1nc(N)c(=O)cc1C.
What is the InChIKey of 3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one?
The InChIKey is HRTWGHUAYWCNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-18-12-7-5-4-6-10(12)16-9(2)8-11(17)13(14)15-16/h4-8H,3H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one?
3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82467326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).