2-[5-(ethylamino)hexyl]pyridazin-3-one

C12H21N3O — CID 62850671

IUPAC2-[5-(ethylamino)hexyl]pyridazin-3-one
SMILESCCNC(C)CCCCn1ncccc1=O
InChIInChI=1S/C12H21N3O/c1-3-13-11(2)7-4-5-10-15-12(16)8-6-9-14-15/h6,8-9,11,13H,3-5,7,10H2,1-2H3
InChIKeyZKJHQHOUGZHOPV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.41
Rot. Bonds7

About 2-[5-(ethylamino)hexyl]pyridazin-3-one

2-[5-(ethylamino)hexyl]pyridazin-3-one (PubChem CID 62850671) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[5-(ethylamino)hexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[5-(ethylamino)hexyl]pyridazin-3-one
PubChem CID62850671
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[5-(ethylamino)hexyl]pyridazin-3-one
SMILESCCNC(C)CCCCn1ncccc1=O
InChIInChI=1S/C12H21N3O/c1-3-13-11(2)7-4-5-10-15-12(16)8-6-9-14-15/h6,8-9,11,13H,3-5,7,10H2,1-2H3
InChIKeyZKJHQHOUGZHOPV-UHFFFAOYSA-N
XLogP1.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-(ethylamino)hexyl]pyridazin-3-one 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 2-[5-(ethylamino)hexyl]pyridazin-3-one?
The IUPAC name of 2-[5-(ethylamino)hexyl]pyridazin-3-one (CID 62850671) is 2-[5-(ethylamino)hexyl]pyridazin-3-one.
What is the SMILES notation for 2-[5-(ethylamino)hexyl]pyridazin-3-one?
The canonical SMILES for 2-[5-(ethylamino)hexyl]pyridazin-3-one is CCNC(C)CCCCn1ncccc1=O.
What is the InChIKey of 2-[5-(ethylamino)hexyl]pyridazin-3-one?
The InChIKey is ZKJHQHOUGZHOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-13-11(2)7-4-5-10-15-12(16)8-6-9-14-15/h6,8-9,11,13H,3-5,7,10H2,1-2H3.
What are the key properties of 2-[5-(ethylamino)hexyl]pyridazin-3-one?
2-[5-(ethylamino)hexyl]pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylamino)hexyl]pyridazin-3-one is sourced from PubChem (CID 62850671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).