3-phenyl-1H-pyridazine-4,6-dione

C10H8N2O2 — CID 51423570

IUPAC3-phenyl-1H-pyridazine-4,6-dione
SMILESO=C1CC(=O)C(c2ccccc2)=NN1
InChIInChI=1S/C10H8N2O2/c13-8-6-9(14)11-12-10(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,14)
InChIKeyRNXTXZKWZAFFMZ-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.48
Rot. Bonds1

About 3-phenyl-1H-pyridazine-4,6-dione

3-phenyl-1H-pyridazine-4,6-dione (PubChem CID 51423570) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-phenyl-1H-pyridazine-4,6-dione.

Molecular Properties

Compound Name3-phenyl-1H-pyridazine-4,6-dione
PubChem CID51423570
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-phenyl-1H-pyridazine-4,6-dione
SMILESO=C1CC(=O)C(c2ccccc2)=NN1
InChIInChI=1S/C10H8N2O2/c13-8-6-9(14)11-12-10(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,14)
InChIKeyRNXTXZKWZAFFMZ-UHFFFAOYSA-N
XLogP0.48
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-benzylidene-3-phenyl-1H-pyrazol-5-one
CID 85436313
4-(2-methylpropylidene)-3-phenyl-1H-pyrazol-5-one
CID 71415240
3-(2-fluorophenyl)-1,4-dihydropyrazol-5-one
CID 43831427
3-[2-(4-phenylphenyl)ethyl]-4,5-dihydro-1H-pyridazin-6-one
CID 25022419
3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
CID 4778793
(3Z)-13-methylidene-4-phenyl-6,12-dioxa-2,3-diazabicyclo[12.4.0]octadeca-1(18),3,14,16-tetraen-5-one
CID 172966504
7-chloro-8-methyl-2-phenyl-4,7-dihydro-1,8-naphthyridin-3-one
CID 58524622
3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
CID 70523161
N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467706
3-[3,5-dichloro-4-[(3-ethyl-1H-isoindol-5-yl)oxy]phenyl]-1H-pyridazine-4,6-dione
CID 167703906
3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one
CID 135966133
(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one
CID 11402511

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-pyridazine-4,6-dione?
The IUPAC name of 3-phenyl-1H-pyridazine-4,6-dione (CID 51423570) is 3-phenyl-1H-pyridazine-4,6-dione.
What is the SMILES notation for 3-phenyl-1H-pyridazine-4,6-dione?
The canonical SMILES for 3-phenyl-1H-pyridazine-4,6-dione is O=C1CC(=O)C(c2ccccc2)=NN1.
What is the InChIKey of 3-phenyl-1H-pyridazine-4,6-dione?
The InChIKey is RNXTXZKWZAFFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-8-6-9(14)11-12-10(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,14).
What are the key properties of 3-phenyl-1H-pyridazine-4,6-dione?
3-phenyl-1H-pyridazine-4,6-dione has a molecular weight of 188.19 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-pyridazine-4,6-dione is sourced from PubChem (CID 51423570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).