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

C13H14N4O3 — CID 82467572

IUPAC4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(N)c1=O
InChIInChI=1S/C13H14N4O3/c1-2-7-16-13(18)11(14)8-12(15-16)9-3-5-10(6-4-9)17(19)20/h3-6,8H,2,7,14H2,1H3
InChIKeyJOECEEHDODOCEA-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.81
Rot. Bonds4

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

4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one (PubChem CID 82467572) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
PubChem CID82467572
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(N)c1=O
InChIInChI=1S/C13H14N4O3/c1-2-7-16-13(18)11(14)8-12(15-16)9-3-5-10(6-4-9)17(19)20/h3-6,8H,2,7,14H2,1H3
InChIKeyJOECEEHDODOCEA-UHFFFAOYSA-N
XLogP1.81
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
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

2-[6-(4-nitrophenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
CID 82446948
4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82446951
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559
5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole
CID 12061634
2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide
CID 82445305
1-ethyl-3-(4-nitrophenyl)pyrazole-5-carbaldehyde
CID 84761305
ethyl 2-(2-amino-2-oxoethyl)-6-(4-nitrophenyl)-3-oxopyridazine-4-carboxylate
CID 100785584
6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446730
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
CID 82446579
4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467609
4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one
CID 82467566
2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetonitrile
CID 7665444

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one?
The IUPAC name of 4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one (CID 82467572) is 4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one?
The canonical SMILES for 4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one is CCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(N)c1=O.
What is the InChIKey of 4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one?
The InChIKey is JOECEEHDODOCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-7-16-13(18)11(14)8-12(15-16)9-3-5-10(6-4-9)17(19)20/h3-6,8H,2,7,14H2,1H3.
What are the key properties of 4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one?
4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one has a molecular weight of 274.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82467572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).