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

C8H13N3O2 — CID 10012594

IUPAC5-amino-2-(4-hydroxybutyl)pyridazin-3-one
SMILESNc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C8H13N3O2/c9-7-5-8(13)11(10-6-7)3-1-2-4-12/h5-6,12H,1-4,9H2
InChIKeySFHSIFUSISOTNR-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.40
Rot. Bonds4

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

5-amino-2-(4-hydroxybutyl)pyridazin-3-one (PubChem CID 10012594) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-amino-2-(4-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(4-hydroxybutyl)pyridazin-3-one
PubChem CID10012594
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-amino-2-(4-hydroxybutyl)pyridazin-3-one
SMILESNc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C8H13N3O2/c9-7-5-8(13)11(10-6-7)3-1-2-4-12/h5-6,12H,1-4,9H2
InChIKeySFHSIFUSISOTNR-UHFFFAOYSA-N
XLogP-0.40
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.40
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-(2-hydroxyethyl)pyridazin-3-one
CID 21449750
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-Amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one
CID 10376068
5-Amino-2-(5-hydroxypentyl)pyridazin-3-one
CID 103218192
5-Amino-2-(4-methoxybutyl)pyridazin-3-one
CID 103218204
5-Amino-2-(3-methoxypropyl)pyridazin-3-one
CID 103218207
5-Amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218258
5-Amino-2-butylpyridazin-3-one
CID 103218271
5-Amino-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103218313
5-Amino-2-(2-hydroxypropyl)pyridazin-3-one
CID 103218365

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(4-hydroxybutyl)pyridazin-3-one (CID 10012594) is 5-amino-2-(4-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(4-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(4-hydroxybutyl)pyridazin-3-one is Nc1cnn(CCCCO)c(=O)c1.
What is the InChIKey of 5-amino-2-(4-hydroxybutyl)pyridazin-3-one?
The InChIKey is SFHSIFUSISOTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-7-5-8(13)11(10-6-7)3-1-2-4-12/h5-6,12H,1-4,9H2.
What are the key properties of 5-amino-2-(4-hydroxybutyl)pyridazin-3-one?
5-amino-2-(4-hydroxybutyl)pyridazin-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 10012594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).