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

C11H16N6 — CID 869844

IUPAC3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCN(C)CC3)nn12
InChIInChI=1S/C11H16N6/c1-9-12-13-10-3-4-11(14-17(9)10)16-7-5-15(2)6-8-16/h3-4H,5-8H2,1-2H3
InChIKeyWBBBAKZXAZHXDY-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.18
Rot. Bonds1

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

3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 869844) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID869844
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCN(C)CC3)nn12
InChIInChI=1S/C11H16N6/c1-9-12-13-10-3-4-11(14-17(9)10)16-7-5-15(2)6-8-16/h3-4H,5-8H2,1-2H3
InChIKeyWBBBAKZXAZHXDY-UHFFFAOYSA-N
XLogP0.18
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 869844) is 3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(N3CCN(C)CC3)nn12.
What is the InChIKey of 3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WBBBAKZXAZHXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-9-12-13-10-3-4-11(14-17(9)10)16-7-5-15(2)6-8-16/h3-4H,5-8H2,1-2H3.
What are the key properties of 3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 232.29 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 869844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).