2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C11H16N6O — CID 21494319

IUPAC2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCn1nc2ccc(N3CCNCC3)nn2c1=O
InChIInChI=1S/C11H16N6O/c1-2-16-11(18)17-10(13-16)4-3-9(14-17)15-7-5-12-6-8-15/h3-4,12H,2,5-8H2,1H3
InChIKeyVMYGQFLJTRFQHH-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.68
Rot. Bonds2

About 2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one

2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 21494319) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID21494319
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCn1nc2ccc(N3CCNCC3)nn2c1=O
InChIInChI=1S/C11H16N6O/c1-2-16-11(18)17-10(13-16)4-3-9(14-17)15-7-5-12-6-8-15/h3-4,12H,2,5-8H2,1H3
InChIKeyVMYGQFLJTRFQHH-UHFFFAOYSA-N
XLogP-0.68
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 21494319) is 2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCn1nc2ccc(N3CCNCC3)nn2c1=O.
What is the InChIKey of 2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is VMYGQFLJTRFQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-16-11(18)17-10(13-16)4-3-9(14-17)15-7-5-12-6-8-15/h3-4,12H,2,5-8H2,1H3.
What are the key properties of 2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 21494319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).