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

C12H9ClN4 — CID 2143096

IUPAC3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(Cc3ccccc3)n2n1
InChIInChI=1S/C12H9ClN4/c13-10-6-7-11-14-15-12(17(11)16-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyTURKZWDFAPMZAE-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.37
Rot. Bonds2

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

3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 2143096) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID2143096
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(Cc3ccccc3)n2n1
InChIInChI=1S/C12H9ClN4/c13-10-6-7-11-14-15-12(17(11)16-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyTURKZWDFAPMZAE-UHFFFAOYSA-N
XLogP2.37
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine (CID 2143096) is 3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(Cc3ccccc3)n2n1.
What is the InChIKey of 3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is TURKZWDFAPMZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-10-6-7-11-14-15-12(17(11)16-10)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine?
3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 244.69 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 2143096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).