5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one

C13H20ClN3O — CID 133377080

IUPAC5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one
SMILESCCCC(C)C1CCCN1c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C13H20ClN3O/c1-3-5-9(2)10-6-4-7-17(10)11-8-15-16-13(18)12(11)14/h8-10H,3-7H2,1-2H3,(H,16,18)
InChIKeyFOBPIYQMJISCBT-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.83
Rot. Bonds4

About 5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one

5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one (PubChem CID 133377080) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one
PubChem CID133377080
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one
SMILESCCCC(C)C1CCCN1c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C13H20ClN3O/c1-3-5-9(2)10-6-4-7-17(10)11-8-15-16-13(18)12(11)14/h8-10H,3-7H2,1-2H3,(H,16,18)
InChIKeyFOBPIYQMJISCBT-UHFFFAOYSA-N
XLogP2.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one (CID 133377080) is 5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one is CCCC(C)C1CCCN1c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is FOBPIYQMJISCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-5-9(2)10-6-4-7-17(10)11-8-15-16-13(18)12(11)14/h8-10H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one?
5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 269.78 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 133377080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).