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

C11H15N5 — CID 2807627

IUPAC6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CCCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C11H15N5/c1-9-3-2-6-15(7-9)11-5-4-10-13-12-8-16(10)14-11/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyFVKKJGJZNUEFAD-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.36
Rot. Bonds1

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

6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 2807627) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID2807627
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CCCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C11H15N5/c1-9-3-2-6-15(7-9)11-5-4-10-13-12-8-16(10)14-11/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyFVKKJGJZNUEFAD-UHFFFAOYSA-N
XLogP1.36
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 2807627) is 6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CC1CCCN(c2ccc3nncn3n2)C1.
What is the InChIKey of 6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FVKKJGJZNUEFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-3-2-6-15(7-9)11-5-4-10-13-12-8-16(10)14-11/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 217.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 2807627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).