4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one

C11H13BrN4OS — CID 113239418

IUPAC4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one
SMILESCCC(Nc1cnn(C)c(=O)c1Br)c1nccs1
InChIInChI=1S/C11H13BrN4OS/c1-3-7(10-13-4-5-18-10)15-8-6-14-16(2)11(17)9(8)12/h4-7,15H,3H2,1-2H3
InChIKeyXCHPOVGPAOZXEM-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.56
Rot. Bonds4

About 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one

4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one (PubChem CID 113239418) has the molecular formula C11H13BrN4OS and a molecular weight of 329.22 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one
PubChem CID113239418
Molecular FormulaC11H13BrN4OS
Molecular Weight329.22 g/mol
Exact Mass328.00
IUPAC Name4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one
SMILESCCC(Nc1cnn(C)c(=O)c1Br)c1nccs1
InChIInChI=1S/C11H13BrN4OS/c1-3-7(10-13-4-5-18-10)15-8-6-14-16(2)11(17)9(8)12/h4-7,15H,3H2,1-2H3
InChIKeyXCHPOVGPAOZXEM-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one (CID 113239418) is 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one is CCC(Nc1cnn(C)c(=O)c1Br)c1nccs1.
What is the InChIKey of 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one?
The InChIKey is XCHPOVGPAOZXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4OS/c1-3-7(10-13-4-5-18-10)15-8-6-14-16(2)11(17)9(8)12/h4-7,15H,3H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one has a molecular weight of 329.22 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one is sourced from PubChem (CID 113239418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).