5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one

C10H17N3O2 — CID 103219069

IUPAC5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one
SMILESCCNc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-2-11-9-7-10(15)13(12-8-9)5-3-4-6-14/h7-8,11,14H,2-6H2,1H3
InChIKeyVZXBHTDKXLKDDB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.45
Rot. Bonds6

About 5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one

5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one (PubChem CID 103219069) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one
PubChem CID103219069
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one
SMILESCCNc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-2-11-9-7-10(15)13(12-8-9)5-3-4-6-14/h7-8,11,14H,2-6H2,1H3
InChIKeyVZXBHTDKXLKDDB-UHFFFAOYSA-N
XLogP0.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.45
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

4-Chloro-2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 9991519
5-Amino-2-(4-hydroxybutyl)pyridazin-3-one
CID 10012594
2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide
CID 10244330
2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
5-Hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one
CID 10375473
5-(2-Hydroxyethylamino)-2-methylpyridazin-3-one
CID 85866137
5-Amino-2-(5-hydroxypentyl)pyridazin-3-one
CID 103218192
5-Amino-2-(4-methoxybutyl)pyridazin-3-one
CID 103218204
5-Amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218258
5-Amino-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103218313
2-(2-Hydroxyethyl)-5-(methylamino)pyridazin-3-one
CID 103218461
2-(5-Hydroxypentyl)-5-(methylamino)pyridazin-3-one
CID 103218470

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one (CID 103219069) is 5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one is CCNc1cnn(CCCCO)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one?
The InChIKey is VZXBHTDKXLKDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-11-9-7-10(15)13(12-8-9)5-3-4-6-14/h7-8,11,14H,2-6H2,1H3.
What are the key properties of 5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one?
5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 103219069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).