3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C13H20N6 — CID 39037610

IUPAC3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(N3CCN(CC)CC3)nn12
InChIInChI=1S/C13H20N6/c1-3-11-14-15-12-5-6-13(16-19(11)12)18-9-7-17(4-2)8-10-18/h5-6H,3-4,7-10H2,1-2H3
InChIKeyJGILODIESBAXAW-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.83
Rot. Bonds3

About 3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 39037610) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID39037610
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(N3CCN(CC)CC3)nn12
InChIInChI=1S/C13H20N6/c1-3-11-14-15-12-5-6-13(16-19(11)12)18-9-7-17(4-2)8-10-18/h5-6H,3-4,7-10H2,1-2H3
InChIKeyJGILODIESBAXAW-UHFFFAOYSA-N
XLogP0.83
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 39037610) is 3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CCc1nnc2ccc(N3CCN(CC)CC3)nn12.
What is the InChIKey of 3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JGILODIESBAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-11-14-15-12-5-6-13(16-19(11)12)18-9-7-17(4-2)8-10-18/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 260.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-ethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 39037610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).