2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one

C11H20N4O — CID 62849091

IUPAC2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one
SMILESCN(C)CCCNCCn1ncccc1=O
InChIInChI=1S/C11H20N4O/c1-14(2)9-4-6-12-8-10-15-11(16)5-3-7-13-15/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyWHTURJLFKFWTJI-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.22
Rot. Bonds7

About 2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one

2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one (PubChem CID 62849091) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one
PubChem CID62849091
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one
SMILESCN(C)CCCNCCn1ncccc1=O
InChIInChI=1S/C11H20N4O/c1-14(2)9-4-6-12-8-10-15-11(16)5-3-7-13-15/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyWHTURJLFKFWTJI-UHFFFAOYSA-N
XLogP-0.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one (CID 62849091) is 2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one is CN(C)CCCNCCn1ncccc1=O.
What is the InChIKey of 2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one?
The InChIKey is WHTURJLFKFWTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14(2)9-4-6-12-8-10-15-11(16)5-3-7-13-15/h3,5,7,12H,4,6,8-10H2,1-2H3.
What are the key properties of 2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one?
2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one has a molecular weight of 224.31 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)propylamino]ethyl]pyridazin-3-one is sourced from PubChem (CID 62849091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).