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

C15H15N3O4 — CID 82446951

IUPAC4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(C)=O)c1=O
InChIInChI=1S/C15H15N3O4/c1-3-8-17-15(20)13(10(2)19)9-14(16-17)11-4-6-12(7-5-11)18(21)22/h4-7,9H,3,8H2,1-2H3
InChIKeyGZBPBPRIDBNTRV-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.43
Rot. Bonds5

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

4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one (PubChem CID 82446951) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
PubChem CID82446951
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(C)=O)c1=O
InChIInChI=1S/C15H15N3O4/c1-3-8-17-15(20)13(10(2)19)9-14(16-17)11-4-6-12(7-5-11)18(21)22/h4-7,9H,3,8H2,1-2H3
InChIKeyGZBPBPRIDBNTRV-UHFFFAOYSA-N
XLogP2.43
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82467572
2-[6-(4-nitrophenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
CID 82446948
2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide
CID 82445305
ethyl 2-(2-amino-2-oxoethyl)-6-(4-nitrophenyl)-3-oxopyridazine-4-carboxylate
CID 100785584
4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
CID 82444786
4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
CID 82447655
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole
CID 12061634
2-ethyl-6-(3-nitrophenyl)-3-oxopyridazine-4-carbonyl chloride
CID 82445285
1-ethyl-3-(4-nitrophenyl)pyrazole-5-carbaldehyde
CID 84761305
ethyl (2S)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]propanoate
CID 7665302
4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444386

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one?
The IUPAC name of 4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one (CID 82446951) is 4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one?
The canonical SMILES for 4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one is CCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(C)=O)c1=O.
What is the InChIKey of 4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one?
The InChIKey is GZBPBPRIDBNTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-3-8-17-15(20)13(10(2)19)9-14(16-17)11-4-6-12(7-5-11)18(21)22/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one?
4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one has a molecular weight of 301.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82446951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).