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

C15H17N7 — CID 5308432

IUPAC3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCN(c4ccccn4)CC3)nn12
InChIInChI=1S/C15H17N7/c1-12-17-18-14-5-6-15(19-22(12)14)21-10-8-20(9-11-21)13-4-2-3-7-16-13/h2-7H,8-11H2,1H3
InChIKeyZBRKJJWBNRSLSP-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.15
Rot. Bonds2

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

3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 5308432) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID5308432
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCN(c4ccccn4)CC3)nn12
InChIInChI=1S/C15H17N7/c1-12-17-18-14-5-6-15(19-22(12)14)21-10-8-20(9-11-21)13-4-2-3-7-16-13/h2-7H,8-11H2,1H3
InChIKeyZBRKJJWBNRSLSP-UHFFFAOYSA-N
XLogP1.15
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 5308432) is 3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(N3CCN(c4ccccn4)CC3)nn12.
What is the InChIKey of 3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZBRKJJWBNRSLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-12-17-18-14-5-6-15(19-22(12)14)21-10-8-20(9-11-21)13-4-2-3-7-16-13/h2-7H,8-11H2,1H3.
What are the key properties of 3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 295.35 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 5308432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).