4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one

C15H19N3O3 — CID 82467566

IUPAC4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2cc(OC)ccc2OC)cc(N)c1=O
InChIInChI=1S/C15H19N3O3/c1-4-7-18-15(19)12(16)9-13(17-18)11-8-10(20-2)5-6-14(11)21-3/h5-6,8-9H,4,7,16H2,1-3H3
InChIKeyCZNYWPXRNJEGFJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.92
Rot. Bonds5

About 4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one

4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one (PubChem CID 82467566) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one
PubChem CID82467566
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2cc(OC)ccc2OC)cc(N)c1=O
InChIInChI=1S/C15H19N3O3/c1-4-7-18-15(19)12(16)9-13(17-18)11-8-10(20-2)5-6-14(11)21-3/h5-6,8-9H,4,7,16H2,1-3H3
InChIKeyCZNYWPXRNJEGFJ-UHFFFAOYSA-N
XLogP1.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559
6-(2-methoxy-5-methylphenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde
CID 82446916
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
CID 61265330
4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82467572
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-(2,4-dimethylphenyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82467643
3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine
CID 62019246
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2602915
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one?
The IUPAC name of 4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one (CID 82467566) is 4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one?
The canonical SMILES for 4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one is CCCn1nc(-c2cc(OC)ccc2OC)cc(N)c1=O.
What is the InChIKey of 4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one?
The InChIKey is CZNYWPXRNJEGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-7-18-15(19)12(16)9-13(17-18)11-8-10(20-2)5-6-14(11)21-3/h5-6,8-9H,4,7,16H2,1-3H3.
What are the key properties of 4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one?
4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one has a molecular weight of 289.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82467566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).