3-(4-nitrophenyl)-1H-pyridazin-6-one

C10H7N3O3 — CID 10921934

IUPAC3-(4-nitrophenyl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc([N+](=O)[O-])cc2)n[nH]1
InChIInChI=1S/C10H7N3O3/c14-10-6-5-9(11-12-10)7-1-3-8(4-2-7)13(15)16/h1-6H,(H,12,14)
InChIKeyIKBFYMXTFYZVAS-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.35
Rot. Bonds2

About 3-(4-nitrophenyl)-1H-pyridazin-6-one

3-(4-nitrophenyl)-1H-pyridazin-6-one (PubChem CID 10921934) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-nitrophenyl)-1H-pyridazin-6-one
PubChem CID10921934
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name3-(4-nitrophenyl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc([N+](=O)[O-])cc2)n[nH]1
InChIInChI=1S/C10H7N3O3/c14-10-6-5-9(11-12-10)7-1-3-8(4-2-7)13(15)16/h1-6H,(H,12,14)
InChIKeyIKBFYMXTFYZVAS-UHFFFAOYSA-N
XLogP1.35
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitrophenyl)-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid
CID 88725675
3-(4-nitrophenyl)-1H-1,2,4-triazin-6-one
CID 70248032
5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
CID 121230197
3-(4-nitrophenyl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 82446450
3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one
CID 10489682
5-(1-aminoethyl)-3-(4-nitrophenyl)-1H-pyridazin-6-one
CID 82446474
3-(4-iodophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 135421478
3-(4-nitrophenyl)oxazin-6-one
CID 759154
5-ethynyl-3-(4-nitrophenyl)-1H-pyrazole
CID 24976006
2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108747829
3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527958
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-nitrophenyl)-1H-pyridazin-6-one (CID 10921934) is 3-(4-nitrophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-nitrophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-nitrophenyl)-1H-pyridazin-6-one is O=c1ccc(-c2ccc([N+](=O)[O-])cc2)n[nH]1.
What is the InChIKey of 3-(4-nitrophenyl)-1H-pyridazin-6-one?
The InChIKey is IKBFYMXTFYZVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-10-6-5-9(11-12-10)7-1-3-8(4-2-7)13(15)16/h1-6H,(H,12,14).
What are the key properties of 3-(4-nitrophenyl)-1H-pyridazin-6-one?
3-(4-nitrophenyl)-1H-pyridazin-6-one has a molecular weight of 217.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 10921934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).