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

C9H15N3O2 — CID 10352676

IUPAC2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C9H15N3O2/c1-10-8-6-9(14)12(11-7-8)4-2-3-5-13/h6-7,10,13H,2-5H2,1H3
InChIKeyQYFMDQBFPSNONZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.06
Rot. Bonds5

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

2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one (PubChem CID 10352676) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one
PubChem CID10352676
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C9H15N3O2/c1-10-8-6-9(14)12(11-7-8)4-2-3-5-13/h6-7,10,13H,2-5H2,1H3
InChIKeyQYFMDQBFPSNONZ-UHFFFAOYSA-N
XLogP0.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.06
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
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
2-(4-Methoxybutyl)-5-(methylamino)pyridazin-3-one
CID 103218482

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one (CID 10352676) is 2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(CCCCO)c(=O)c1.
What is the InChIKey of 2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is QYFMDQBFPSNONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10-8-6-9(14)12(11-7-8)4-2-3-5-13/h6-7,10,13H,2-5H2,1H3.
What are the key properties of 2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one?
2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 10352676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).