3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

C10H10N2O3 — CID 135990622

IUPAC3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2cc(O)ccc2O)=NN1
InChIInChI=1S/C10H10N2O3/c13-6-1-3-9(14)7(5-6)8-2-4-10(15)12-11-8/h1,3,5,13-14H,2,4H2,(H,12,15)
InChIKeyJANCHRFDAUDIEZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.71
Rot. Bonds1

About 3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 135990622) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID135990622
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2cc(O)ccc2O)=NN1
InChIInChI=1S/C10H10N2O3/c13-6-1-3-9(14)7(5-6)8-2-4-10(15)12-11-8/h1,3,5,13-14H,2,4H2,(H,12,15)
InChIKeyJANCHRFDAUDIEZ-UHFFFAOYSA-N
XLogP0.71
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 135990622) is 3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2cc(O)ccc2O)=NN1.
What is the InChIKey of 3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JANCHRFDAUDIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-6-1-3-9(14)7(5-6)8-2-4-10(15)12-11-8/h1,3,5,13-14H,2,4H2,(H,12,15).
What are the key properties of 3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 206.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 135990622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).