4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one

C16H18N2O3 — CID 82446787

IUPAC4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccccc2OC)cc(C(C)=O)c1=O
InChIInChI=1S/C16H18N2O3/c1-4-9-18-16(20)13(11(2)19)10-14(17-18)12-7-5-6-8-15(12)21-3/h5-8,10H,4,9H2,1-3H3
InChIKeyAIPBRJLWENZXOC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.53
Rot. Bonds5

About 4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one

4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one (PubChem CID 82446787) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
PubChem CID82446787
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccccc2OC)cc(C(C)=O)c1=O
InChIInChI=1S/C16H18N2O3/c1-4-9-18-16(20)13(11(2)19)10-14(17-18)12-7-5-6-8-15(12)21-3/h5-8,10H,4,9H2,1-3H3
InChIKeyAIPBRJLWENZXOC-UHFFFAOYSA-N
XLogP2.53
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
CID 82445266
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide
CID 82447618
ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate
CID 100785399
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
CID 82447614
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one
CID 82447084
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82446951
[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 16581254

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one?
The IUPAC name of 4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one (CID 82446787) is 4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one?
The canonical SMILES for 4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one is CCCn1nc(-c2ccccc2OC)cc(C(C)=O)c1=O.
What is the InChIKey of 4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one?
The InChIKey is AIPBRJLWENZXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-9-18-16(20)13(11(2)19)10-14(17-18)12-7-5-6-8-15(12)21-3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one?
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one has a molecular weight of 286.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82446787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).