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

C10H17N3O — CID 62850673

IUPAC2-(5-aminohexyl)pyridazin-3-one
SMILESCC(N)CCCCn1ncccc1=O
InChIInChI=1S/C10H17N3O/c1-9(11)5-2-3-8-13-10(14)6-4-7-12-13/h4,6-7,9H,2-3,5,8,11H2,1H3
InChIKeyFFAGLOUWQVDTOE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.76
Rot. Bonds5

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

2-(5-aminohexyl)pyridazin-3-one (PubChem CID 62850673) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(5-aminohexyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(5-aminohexyl)pyridazin-3-one
PubChem CID62850673
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(5-aminohexyl)pyridazin-3-one
SMILESCC(N)CCCCn1ncccc1=O
InChIInChI=1S/C10H17N3O/c1-9(11)5-2-3-8-13-10(14)6-4-7-12-13/h4,6-7,9H,2-3,5,8,11H2,1H3
InChIKeyFFAGLOUWQVDTOE-UHFFFAOYSA-N
XLogP0.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.76
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)pyridazin-3-one?
The IUPAC name of 2-(5-aminohexyl)pyridazin-3-one (CID 62850673) is 2-(5-aminohexyl)pyridazin-3-one.
What is the SMILES notation for 2-(5-aminohexyl)pyridazin-3-one?
The canonical SMILES for 2-(5-aminohexyl)pyridazin-3-one is CC(N)CCCCn1ncccc1=O.
What is the InChIKey of 2-(5-aminohexyl)pyridazin-3-one?
The InChIKey is FFAGLOUWQVDTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(11)5-2-3-8-13-10(14)6-4-7-12-13/h4,6-7,9H,2-3,5,8,11H2,1H3.
What are the key properties of 2-(5-aminohexyl)pyridazin-3-one?
2-(5-aminohexyl)pyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminohexyl)pyridazin-3-one is sourced from PubChem (CID 62850673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).