2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one

C15H26BrN3O — CID 105343197

IUPAC2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCCCCCCCCBr)c(=O)c1
InChIInChI=1S/C15H26BrN3O/c1-18(2)14-12-15(20)19(17-13-14)11-9-7-5-3-4-6-8-10-16/h12-13H,3-11H2,1-2H3
InChIKeyXZYRLLZLRQZFKK-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.43
Rot. Bonds10

About 2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one

2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one (PubChem CID 105343197) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one
PubChem CID105343197
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCCCCCCCCBr)c(=O)c1
InChIInChI=1S/C15H26BrN3O/c1-18(2)14-12-15(20)19(17-13-14)11-9-7-5-3-4-6-8-10-16/h12-13H,3-11H2,1-2H3
InChIKeyXZYRLLZLRQZFKK-UHFFFAOYSA-N
XLogP3.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one (CID 105343197) is 2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CCCCCCCCCBr)c(=O)c1.
What is the InChIKey of 2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one?
The InChIKey is XZYRLLZLRQZFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-18(2)14-12-15(20)19(17-13-14)11-9-7-5-3-4-6-8-10-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one?
2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one has a molecular weight of 344.30 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromononyl)-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 105343197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).