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

C12H18N6 — CID 53016938

IUPAC3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(N3CCN(C)CC3)nn12
InChIInChI=1S/C12H18N6/c1-3-10-13-14-11-4-5-12(15-18(10)11)17-8-6-16(2)7-9-17/h4-5H,3,6-9H2,1-2H3
InChIKeyNPIQRBLCKJXEIL-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.44
Rot. Bonds2

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

3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53016938) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53016938
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(N3CCN(C)CC3)nn12
InChIInChI=1S/C12H18N6/c1-3-10-13-14-11-4-5-12(15-18(10)11)17-8-6-16(2)7-9-17/h4-5H,3,6-9H2,1-2H3
InChIKeyNPIQRBLCKJXEIL-UHFFFAOYSA-N
XLogP0.44
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.44
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-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 53016938) is 3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CCc1nnc2ccc(N3CCN(C)CC3)nn12.
What is the InChIKey of 3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NPIQRBLCKJXEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-10-13-14-11-4-5-12(15-18(10)11)17-8-6-16(2)7-9-17/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 246.32 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53016938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).