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

C11H15N5 — CID 23799025

IUPAC6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nncn2nc1N1CCCCCC1
InChIInChI=1S/C11H15N5/c1-2-4-8-15(7-3-1)11-6-5-10-13-12-9-16(10)14-11/h5-6,9H,1-4,7-8H2
InChIKeyIHKFJLOYWDVALL-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.50
Rot. Bonds1

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

6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 23799025) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID23799025
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nncn2nc1N1CCCCCC1
InChIInChI=1S/C11H15N5/c1-2-4-8-15(7-3-1)11-6-5-10-13-12-9-16(10)14-11/h5-6,9H,1-4,7-8H2
InChIKeyIHKFJLOYWDVALL-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(azepan-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-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 23799025) is 6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is c1cc2nncn2nc1N1CCCCCC1.
What is the InChIKey of 6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IHKFJLOYWDVALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-4-8-15(7-3-1)11-6-5-10-13-12-9-16(10)14-11/h5-6,9H,1-4,7-8H2.
What are the key properties of 6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 217.28 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 23799025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).