5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one

C11H19N3O2 — CID 103218862

IUPAC5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one
SMILESCCNc1cnn(CCCCCO)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-2-12-10-8-11(16)14(13-9-10)6-4-3-5-7-15/h8-9,12,15H,2-7H2,1H3
InChIKeyLIJLDGDVYNXFPI-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.84
Rot. Bonds7

About 5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one

5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one (PubChem CID 103218862) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one
PubChem CID103218862
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one
SMILESCCNc1cnn(CCCCCO)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-2-12-10-8-11(16)14(13-9-10)6-4-3-5-7-15/h8-9,12,15H,2-7H2,1H3
InChIKeyLIJLDGDVYNXFPI-UHFFFAOYSA-N
XLogP0.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2-(4-hydroxybutyl)pyridazin-3-one
CID 10012594
2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
5-Amino-2-(5-hydroxypentyl)pyridazin-3-one
CID 103218192
2-(5-Hydroxypentyl)-5-(methylamino)pyridazin-3-one
CID 103218470
2-(4-Methoxybutyl)-5-(methylamino)pyridazin-3-one
CID 103218482
2-(3-Hydroxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218540
2-(3-Hydroxy-2-methylpropyl)-5-(methylamino)pyridazin-3-one
CID 103218601
5-(Methylamino)-2-pentylpyridazin-3-one
CID 103218631
5-(Ethylamino)-2-(4-methoxybutyl)pyridazin-3-one
CID 103218879
5-(Ethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218955
5-(Ethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103219042
5-(Ethylamino)-2-pentylpyridazin-3-one
CID 103219062

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one (CID 103218862) is 5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one is CCNc1cnn(CCCCCO)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one?
The InChIKey is LIJLDGDVYNXFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-12-10-8-11(16)14(13-9-10)6-4-3-5-7-15/h8-9,12,15H,2-7H2,1H3.
What are the key properties of 5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one?
5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one is sourced from PubChem (CID 103218862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).