4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one

C15H19N3O2 — CID 82467559

IUPAC4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(OCC)cc2)cc(N)c1=O
InChIInChI=1S/C15H19N3O2/c1-3-9-18-15(19)13(16)10-14(17-18)11-5-7-12(8-6-11)20-4-2/h5-8,10H,3-4,9,16H2,1-2H3
InChIKeyRIQKBLCULFKAKZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.30
Rot. Bonds5

About 4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one

4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one (PubChem CID 82467559) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
PubChem CID82467559
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc(OCC)cc2)cc(N)c1=O
InChIInChI=1S/C15H19N3O2/c1-3-9-18-15(19)13(16)10-14(17-18)11-5-7-12(8-6-11)20-4-2/h5-8,10H,3-4,9,16H2,1-2H3
InChIKeyRIQKBLCULFKAKZ-UHFFFAOYSA-N
XLogP2.30
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82467572
4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one
CID 82467566
2-butyl-6-(4-ethoxyphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447187
3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
CID 61265330
4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446854
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one
CID 82467495
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164
4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444330
4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442816
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 100785448

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one?
The IUPAC name of 4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one (CID 82467559) is 4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one?
The canonical SMILES for 4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one is CCCn1nc(-c2ccc(OCC)cc2)cc(N)c1=O.
What is the InChIKey of 4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one?
The InChIKey is RIQKBLCULFKAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-9-18-15(19)13(16)10-14(17-18)11-5-7-12(8-6-11)20-4-2/h5-8,10H,3-4,9,16H2,1-2H3.
What are the key properties of 4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one?
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82467559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).