6-ethoxy-2-phenylpyridazin-3-one

C12H12N2O2 — CID 824731

IUPAC6-ethoxy-2-phenylpyridazin-3-one
SMILESCCOc1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C12H12N2O2/c1-2-16-11-8-9-12(15)14(13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyZRUARQMQSNEISF-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.63
Rot. Bonds3

About 6-ethoxy-2-phenylpyridazin-3-one

6-ethoxy-2-phenylpyridazin-3-one (PubChem CID 824731) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-ethoxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-ethoxy-2-phenylpyridazin-3-one
PubChem CID824731
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-ethoxy-2-phenylpyridazin-3-one
SMILESCCOc1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C12H12N2O2/c1-2-16-11-8-9-12(15)14(13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyZRUARQMQSNEISF-UHFFFAOYSA-N
XLogP1.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-phenylpyridazin-3-one?
The IUPAC name of 6-ethoxy-2-phenylpyridazin-3-one (CID 824731) is 6-ethoxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-ethoxy-2-phenylpyridazin-3-one?
The canonical SMILES for 6-ethoxy-2-phenylpyridazin-3-one is CCOc1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 6-ethoxy-2-phenylpyridazin-3-one?
The InChIKey is ZRUARQMQSNEISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-11-8-9-12(15)14(13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 6-ethoxy-2-phenylpyridazin-3-one?
6-ethoxy-2-phenylpyridazin-3-one has a molecular weight of 216.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-phenylpyridazin-3-one is sourced from PubChem (CID 824731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).