2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one

C13H23N3O — CID 106549117

IUPAC2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one
SMILESCCCCCCNCCn1ncc(C)cc1=O
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-7-14-8-9-16-13(17)10-12(2)11-15-16/h10-11,14H,3-9H2,1-2H3
InChIKeyJRJARCYBAKSVKM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds8

About 2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one

2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one (PubChem CID 106549117) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one
PubChem CID106549117
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one
SMILESCCCCCCNCCn1ncc(C)cc1=O
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-7-14-8-9-16-13(17)10-12(2)11-15-16/h10-11,14H,3-9H2,1-2H3
InChIKeyJRJARCYBAKSVKM-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
CID 106549124
2-(4-aminobutyl)-5-methylpyridazin-3-one
CID 106548370
5-methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397656
2-(2-aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528
3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548665
2-(3-hydroxybutyl)-5-methylpyridazin-3-one
CID 106548855
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394656
5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one
CID 106548507

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one (CID 106549117) is 2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one is CCCCCCNCCn1ncc(C)cc1=O.
What is the InChIKey of 2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one?
The InChIKey is JRJARCYBAKSVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-5-6-7-14-8-9-16-13(17)10-12(2)11-15-16/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one?
2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one has a molecular weight of 237.35 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106549117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).