1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone

C16H19N3O — CID 155536829

IUPAC1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone
SMILESCCN(CC)c1ccc(-c2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C16H19N3O/c1-4-19(5-2)16-11-10-15(17-18-16)14-8-6-13(7-9-14)12(3)20/h6-11H,4-5H2,1-3H3
InChIKeyMRVVMXLWFKVYET-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.19
Rot. Bonds5

About 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone

1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone (PubChem CID 155536829) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone
PubChem CID155536829
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone
SMILESCCN(CC)c1ccc(-c2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C16H19N3O/c1-4-19(5-2)16-11-10-15(17-18-16)14-8-6-13(7-9-14)12(3)20/h6-11H,4-5H2,1-3H3
InChIKeyMRVVMXLWFKVYET-UHFFFAOYSA-N
XLogP3.19
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone (CID 155536829) is 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone is CCN(CC)c1ccc(-c2ccc(C(C)=O)cc2)nn1.
What is the InChIKey of 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone?
The InChIKey is MRVVMXLWFKVYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-19(5-2)16-11-10-15(17-18-16)14-8-6-13(7-9-14)12(3)20/h6-11H,4-5H2,1-3H3.
What are the key properties of 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone?
1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone has a molecular weight of 269.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(diethylamino)pyridazin-3-yl]phenyl]ethanone is sourced from PubChem (CID 155536829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).