6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C11H10N6 — CID 70448780

IUPAC6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1ccc(-c2ccc3nnc(N)n3n2)cc1
InChIInChI=1S/C11H10N6/c12-8-3-1-7(2-4-8)9-5-6-10-14-15-11(13)17(10)16-9/h1-6H,12H2,(H2,13,15)
InChIKeyRYFALDHNEPTXIF-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.96
Rot. Bonds1

About 6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 70448780) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID70448780
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESNc1ccc(-c2ccc3nnc(N)n3n2)cc1
InChIInChI=1S/C11H10N6/c12-8-3-1-7(2-4-8)9-5-6-10-14-15-11(13)17(10)16-9/h1-6H,12H2,(H2,13,15)
InChIKeyRYFALDHNEPTXIF-UHFFFAOYSA-N
XLogP0.96
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine 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-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 70448780) is 6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is Nc1ccc(-c2ccc3nnc(N)n3n2)cc1.
What is the InChIKey of 6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is RYFALDHNEPTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-8-3-1-7(2-4-8)9-5-6-10-14-15-11(13)17(10)16-9/h1-6H,12H2,(H2,13,15).
What are the key properties of 6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 226.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 70448780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).