2-[2-(hexylamino)ethyl]pyridazin-3-one

C12H21N3O — CID 62848749

IUPAC2-[2-(hexylamino)ethyl]pyridazin-3-one
SMILESCCCCCCNCCn1ncccc1=O
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-8-13-10-11-15-12(16)7-6-9-14-15/h6-7,9,13H,2-5,8,10-11H2,1H3
InChIKeySTFHZTXQCJRDIX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.41
Rot. Bonds8

About 2-[2-(hexylamino)ethyl]pyridazin-3-one

2-[2-(hexylamino)ethyl]pyridazin-3-one (PubChem CID 62848749) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[2-(hexylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(hexylamino)ethyl]pyridazin-3-one
PubChem CID62848749
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[2-(hexylamino)ethyl]pyridazin-3-one
SMILESCCCCCCNCCn1ncccc1=O
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-8-13-10-11-15-12(16)7-6-9-14-15/h6-7,9,13H,2-5,8,10-11H2,1H3
InChIKeySTFHZTXQCJRDIX-UHFFFAOYSA-N
XLogP1.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hexylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(hexylamino)ethyl]pyridazin-3-one (CID 62848749) is 2-[2-(hexylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(hexylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(hexylamino)ethyl]pyridazin-3-one is CCCCCCNCCn1ncccc1=O.
What is the InChIKey of 2-[2-(hexylamino)ethyl]pyridazin-3-one?
The InChIKey is STFHZTXQCJRDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-4-5-8-13-10-11-15-12(16)7-6-9-14-15/h6-7,9,13H,2-5,8,10-11H2,1H3.
What are the key properties of 2-[2-(hexylamino)ethyl]pyridazin-3-one?
2-[2-(hexylamino)ethyl]pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hexylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62848749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).