2-(5-aminohexyl)-6-methylpyridazin-3-one

C11H19N3O — CID 62923210

IUPAC2-(5-aminohexyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCCCC(C)N)n1
InChIInChI=1S/C11H19N3O/c1-9(12)5-3-4-8-14-11(15)7-6-10(2)13-14/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyRHQDLBPJAHGEEK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.07
Rot. Bonds5

About 2-(5-aminohexyl)-6-methylpyridazin-3-one

2-(5-aminohexyl)-6-methylpyridazin-3-one (PubChem CID 62923210) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(5-aminohexyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-aminohexyl)-6-methylpyridazin-3-one
PubChem CID62923210
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(5-aminohexyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCCCC(C)N)n1
InChIInChI=1S/C11H19N3O/c1-9(12)5-3-4-8-14-11(15)7-6-10(2)13-14/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyRHQDLBPJAHGEEK-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminohexyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(5-aminohexyl)-6-methylpyridazin-3-one (CID 62923210) is 2-(5-aminohexyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(5-aminohexyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(5-aminohexyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCCCC(C)N)n1.
What is the InChIKey of 2-(5-aminohexyl)-6-methylpyridazin-3-one?
The InChIKey is RHQDLBPJAHGEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(12)5-3-4-8-14-11(15)7-6-10(2)13-14/h6-7,9H,3-5,8,12H2,1-2H3.
What are the key properties of 2-(5-aminohexyl)-6-methylpyridazin-3-one?
2-(5-aminohexyl)-6-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)-6-methylpyridazin-3-one is sourced from PubChem (CID 62923210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).