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

C11H7ClN4 — CID 12726825

IUPAC6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C11H7ClN4/c12-9-3-1-2-8(6-9)10-4-5-11-14-13-7-16(11)15-10/h1-7H
InChIKeyKQMHICKQZHPAJT-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.44
Rot. Bonds1

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

6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 12726825) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID12726825
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C11H7ClN4/c12-9-3-1-2-8(6-9)10-4-5-11-14-13-7-16(11)15-10/h1-7H
InChIKeyKQMHICKQZHPAJT-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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 12726825) is 6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is Clc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KQMHICKQZHPAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-9-3-1-2-8(6-9)10-4-5-11-14-13-7-16(11)15-10/h1-7H.
What are the key properties of 6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-chlorophenyl)-[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-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 12726825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).