2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid

C7H5ClN4O2 — CID 95934378

IUPAC2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
SMILESO=C(O)Cc1nnc2ccc(Cl)nn12
InChIInChI=1S/C7H5ClN4O2/c8-4-1-2-5-9-10-6(3-7(13)14)12(5)11-4/h1-2H,3H2,(H,13,14)
InChIKeyKBFRDMLDWJZJFS-UHFFFAOYSA-N
MW212.60 g/mol
LogP0.40
Rot. Bonds2

About 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid

2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid (PubChem CID 95934378) has the molecular formula C7H5ClN4O2 and a molecular weight of 212.60 g/mol. Its IUPAC name is 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
PubChem CID95934378
Molecular FormulaC7H5ClN4O2
Molecular Weight212.60 g/mol
Exact Mass212.01
IUPAC Name2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
SMILESO=C(O)Cc1nnc2ccc(Cl)nn12
InChIInChI=1S/C7H5ClN4O2/c8-4-1-2-5-9-10-6(3-7(13)14)12(5)11-4/h1-2H,3H2,(H,13,14)
InChIKeyKBFRDMLDWJZJFS-UHFFFAOYSA-N
XLogP0.40
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid 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 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid?
The IUPAC name of 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid (CID 95934378) is 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid is O=C(O)Cc1nnc2ccc(Cl)nn12.
What is the InChIKey of 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid?
The InChIKey is KBFRDMLDWJZJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2/c8-4-1-2-5-9-10-6(3-7(13)14)12(5)11-4/h1-2H,3H2,(H,13,14).
What are the key properties of 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid?
2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid has a molecular weight of 212.60 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid is sourced from PubChem (CID 95934378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).