6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

C11H7ClN4 — CID 911462

IUPAC6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C11H7ClN4/c12-9-6-7-10-13-14-11(16(10)15-9)8-4-2-1-3-5-8/h1-7H
InChIKeyCTKDTIYRVIGDLE-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.44
Rot. Bonds1

About 6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 911462) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID911462
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C11H7ClN4/c12-9-6-7-10-13-14-11(16(10)15-9)8-4-2-1-3-5-8/h1-7H
InChIKeyCTKDTIYRVIGDLE-UHFFFAOYSA-N
XLogP2.44
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-phenyl-[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-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 911462) is 6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of 6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CTKDTIYRVIGDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-9-6-7-10-13-14-11(16(10)15-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 230.66 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 911462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).