4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one

C15H23BrN4O — CID 114444493

IUPAC4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one
SMILESCC(C)n1ncc(N2CCCC2C2CCCN2)c(Br)c1=O
InChIInChI=1S/C15H23BrN4O/c1-10(2)20-15(21)14(16)13(9-18-20)19-8-4-6-12(19)11-5-3-7-17-11/h9-12,17H,3-8H2,1-2H3
InChIKeyXPNYILCPZXDSJJ-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.31
Rot. Bonds3

About 4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one

4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one (PubChem CID 114444493) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one
PubChem CID114444493
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one
SMILESCC(C)n1ncc(N2CCCC2C2CCCN2)c(Br)c1=O
InChIInChI=1S/C15H23BrN4O/c1-10(2)20-15(21)14(16)13(9-18-20)19-8-4-6-12(19)11-5-3-7-17-11/h9-12,17H,3-8H2,1-2H3
InChIKeyXPNYILCPZXDSJJ-UHFFFAOYSA-N
XLogP2.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one?
The IUPAC name of 4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one (CID 114444493) is 4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one is CC(C)n1ncc(N2CCCC2C2CCCN2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one?
The InChIKey is XPNYILCPZXDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-10(2)20-15(21)14(16)13(9-18-20)19-8-4-6-12(19)11-5-3-7-17-11/h9-12,17H,3-8H2,1-2H3.
What are the key properties of 4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one?
4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one has a molecular weight of 355.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114444493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).