2-(2-phenoxyethyl)pyridazin-3-one

C12H12N2O2 — CID 176899084

IUPAC2-(2-phenoxyethyl)pyridazin-3-one
SMILESO=c1cccnn1CCOc1ccccc1
InChIInChI=1S/C12H12N2O2/c15-12-7-4-8-13-14(12)9-10-16-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyBWAIATNPPLTWPJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.32
Rot. Bonds4

About 2-(2-phenoxyethyl)pyridazin-3-one

2-(2-phenoxyethyl)pyridazin-3-one (PubChem CID 176899084) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-phenoxyethyl)pyridazin-3-one
PubChem CID176899084
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(2-phenoxyethyl)pyridazin-3-one
SMILESO=c1cccnn1CCOc1ccccc1
InChIInChI=1S/C12H12N2O2/c15-12-7-4-8-13-14(12)9-10-16-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyBWAIATNPPLTWPJ-UHFFFAOYSA-N
XLogP1.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)pyridazin-3-one?
The IUPAC name of 2-(2-phenoxyethyl)pyridazin-3-one (CID 176899084) is 2-(2-phenoxyethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-phenoxyethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-phenoxyethyl)pyridazin-3-one is O=c1cccnn1CCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethyl)pyridazin-3-one?
The InChIKey is BWAIATNPPLTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12-7-4-8-13-14(12)9-10-16-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 2-(2-phenoxyethyl)pyridazin-3-one?
2-(2-phenoxyethyl)pyridazin-3-one has a molecular weight of 216.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)pyridazin-3-one is sourced from PubChem (CID 176899084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).