2-(5-aminohexyl)-5-methylpyridazin-3-one

C11H19N3O — CID 106548503

IUPAC2-(5-aminohexyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCCC(C)N)c(=O)c1
InChIInChI=1S/C11H19N3O/c1-9-7-11(15)14(13-8-9)6-4-3-5-10(2)12/h7-8,10H,3-6,12H2,1-2H3
InChIKeyMALAOHYGBCEVGB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.07
Rot. Bonds5

About 2-(5-aminohexyl)-5-methylpyridazin-3-one

2-(5-aminohexyl)-5-methylpyridazin-3-one (PubChem CID 106548503) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(5-aminohexyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-aminohexyl)-5-methylpyridazin-3-one
PubChem CID106548503
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(5-aminohexyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCCC(C)N)c(=O)c1
InChIInChI=1S/C11H19N3O/c1-9-7-11(15)14(13-8-9)6-4-3-5-10(2)12/h7-8,10H,3-6,12H2,1-2H3
InChIKeyMALAOHYGBCEVGB-UHFFFAOYSA-N
XLogP1.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-aminohexyl)-5-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethane;5-methyl-2-propan-2-ylpyridazin-3-one
CID 169135485
2-Cyclobutyl-5-methylpyridazin-3-one;propane
CID 171811526
2-[2-(Heptan-2-ylamino)ethyl]pyridazin-3-one
CID 55126826
2-[4-(Propan-2-ylamino)butyl]pyridazin-3-one
CID 62849625
2-(2-Aminopentyl)pyridazin-3-one
CID 62849776
2-[2-(Propylamino)pentyl]pyridazin-3-one
CID 62849954
2-[2-(Ethylamino)pentyl]pyridazin-3-one
CID 62849955
2-[2-(Methylamino)pentyl]pyridazin-3-one
CID 62849956
2-[5-(Methylamino)hexyl]pyridazin-3-one
CID 62850670
2-[5-(Ethylamino)hexyl]pyridazin-3-one
CID 62850671
2-[5-(Propylamino)hexyl]pyridazin-3-one
CID 62850672
2-(5-Aminohexyl)pyridazin-3-one
CID 62850673

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminohexyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(5-aminohexyl)-5-methylpyridazin-3-one (CID 106548503) is 2-(5-aminohexyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(5-aminohexyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(5-aminohexyl)-5-methylpyridazin-3-one is Cc1cnn(CCCCC(C)N)c(=O)c1.
What is the InChIKey of 2-(5-aminohexyl)-5-methylpyridazin-3-one?
The InChIKey is MALAOHYGBCEVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-7-11(15)14(13-8-9)6-4-3-5-10(2)12/h7-8,10H,3-6,12H2,1-2H3.
What are the key properties of 2-(5-aminohexyl)-5-methylpyridazin-3-one?
2-(5-aminohexyl)-5-methylpyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminohexyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).