6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione

C11H10N2O3 — CID 71655604

IUPAC6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(COc2ccccc2)[nH][nH]c1=O
InChIInChI=1S/C11H10N2O3/c14-10-6-8(12-13-11(10)15)7-16-9-4-2-1-3-5-9/h1-6H,7H2,(H,12,14)(H,13,15)
InChIKeyAMXKLTIAOPZORZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.64
Rot. Bonds3

About 6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione

6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione (PubChem CID 71655604) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione
PubChem CID71655604
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(COc2ccccc2)[nH][nH]c1=O
InChIInChI=1S/C11H10N2O3/c14-10-6-8(12-13-11(10)15)7-16-9-4-2-1-3-5-9/h1-6H,7H2,(H,12,14)(H,13,15)
InChIKeyAMXKLTIAOPZORZ-UHFFFAOYSA-N
XLogP0.64
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-Fluorophenoxyacetic acid hydrazide
CID 735834
2-Phenoxyacetohydrazide
CID 101390
5-[(4-Chlorophenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 46196578
2-(2-Fluorophenoxy)acetohydrazide
CID 1540410
5-[(4-Ethylphenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945437
5-[(3,5-Difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945548
5-[(3-Bromophenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945550
2-Phenoxypropanohydrazide
CID 381468
2-(3-Fluorophenoxy)acetohydrazide
CID 2362558
3-Phenoxypropanehydrazide
CID 12425703
2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide
CID 2351411
2-methyl-5-oxo-3-(phenoxymethyl)-1H-pyrazole-4-carboxamide
CID 155520669

Frequently Asked Questions

What is the IUPAC name of 6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione (CID 71655604) is 6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione is O=c1cc(COc2ccccc2)[nH][nH]c1=O.
What is the InChIKey of 6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione?
The InChIKey is AMXKLTIAOPZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10-6-8(12-13-11(10)15)7-16-9-4-2-1-3-5-9/h1-6H,7H2,(H,12,14)(H,13,15).
What are the key properties of 6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione?
6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione has a molecular weight of 218.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenoxymethyl)-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 71655604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).