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

C9H15N3O2 — CID 103218192

IUPAC5-amino-2-(5-hydroxypentyl)pyridazin-3-one
SMILESNc1cnn(CCCCCO)c(=O)c1
InChIInChI=1S/C9H15N3O2/c10-8-6-9(14)12(11-7-8)4-2-1-3-5-13/h6-7,13H,1-5,10H2
InChIKeyUGIFYVOXIXQEMR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.01
Rot. Bonds5

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

5-amino-2-(5-hydroxypentyl)pyridazin-3-one (PubChem CID 103218192) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-amino-2-(5-hydroxypentyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(5-hydroxypentyl)pyridazin-3-one
PubChem CID103218192
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-amino-2-(5-hydroxypentyl)pyridazin-3-one
SMILESNc1cnn(CCCCCO)c(=O)c1
InChIInChI=1S/C9H15N3O2/c10-8-6-9(14)12(11-7-8)4-2-1-3-5-13/h6-7,13H,1-5,10H2
InChIKeyUGIFYVOXIXQEMR-UHFFFAOYSA-N
XLogP-0.01
TPSA81.14 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 ≤ 5-0.01
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-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridazin-3-one
CID 455413
5-Amino-2-(4-hydroxybutyl)pyridazin-3-one
CID 10012594
2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
5-Hydrazinyl-2-(4-hydroxybutyl)pyridazin-3-one
CID 10375473
5-Amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218258
5-Amino-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103218313
2-(5-Hydroxypentyl)-5-(methylamino)pyridazin-3-one
CID 103218470
2-(3-Hydroxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218540
5-(Ethylamino)-2-(5-hydroxypentyl)pyridazin-3-one
CID 103218862
5-(Ethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218955
5-(Ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one
CID 103219069
2-(5-Hydroxypentyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219298

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-hydroxypentyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(5-hydroxypentyl)pyridazin-3-one (CID 103218192) is 5-amino-2-(5-hydroxypentyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(5-hydroxypentyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(5-hydroxypentyl)pyridazin-3-one is Nc1cnn(CCCCCO)c(=O)c1.
What is the InChIKey of 5-amino-2-(5-hydroxypentyl)pyridazin-3-one?
The InChIKey is UGIFYVOXIXQEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-8-6-9(14)12(11-7-8)4-2-1-3-5-13/h6-7,13H,1-5,10H2.
What are the key properties of 5-amino-2-(5-hydroxypentyl)pyridazin-3-one?
5-amino-2-(5-hydroxypentyl)pyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-hydroxypentyl)pyridazin-3-one is sourced from PubChem (CID 103218192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).