6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine

C11H8ClN5 — CID 43144377

IUPAC6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(-c2nnc3ccc(Cl)nn23)cn1
InChIInChI=1S/C11H8ClN5/c1-7-2-3-8(6-13-7)11-15-14-10-5-4-9(12)16-17(10)11/h2-6H,1H3
InChIKeyDQXPMOKNQUOTJQ-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.15
Rot. Bonds1

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

6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 43144377) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID43144377
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(-c2nnc3ccc(Cl)nn23)cn1
InChIInChI=1S/C11H8ClN5/c1-7-2-3-8(6-13-7)11-15-14-10-5-4-9(12)16-17(10)11/h2-6H,1H3
InChIKeyDQXPMOKNQUOTJQ-UHFFFAOYSA-N
XLogP2.15
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(6-methyl-3-pyridinyl)-[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-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 43144377) is 6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc(-c2nnc3ccc(Cl)nn23)cn1.
What is the InChIKey of 6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DQXPMOKNQUOTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c1-7-2-3-8(6-13-7)11-15-14-10-5-4-9(12)16-17(10)11/h2-6H,1H3.
What are the key properties of 6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 245.67 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 43144377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).