6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C13H14N6O — CID 66284020

IUPAC6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNc1ccc(CCNc2ccc3n[nH]c(=O)n3n2)cc1
InChIInChI=1S/C13H14N6O/c14-10-3-1-9(2-4-10)7-8-15-11-5-6-12-16-17-13(20)19(12)18-11/h1-6H,7-8,14H2,(H,15,18)(H,17,20)
InChIKeySGZJEPFSKLHXMI-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.65
Rot. Bonds4

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

6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66284020) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66284020
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNc1ccc(CCNc2ccc3n[nH]c(=O)n3n2)cc1
InChIInChI=1S/C13H14N6O/c14-10-3-1-9(2-4-10)7-8-15-11-5-6-12-16-17-13(20)19(12)18-11/h1-6H,7-8,14H2,(H,15,18)(H,17,20)
InChIKeySGZJEPFSKLHXMI-UHFFFAOYSA-N
XLogP0.65
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one 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-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66284020) is 6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Nc1ccc(CCNc2ccc3n[nH]c(=O)n3n2)cc1.
What is the InChIKey of 6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is SGZJEPFSKLHXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c14-10-3-1-9(2-4-10)7-8-15-11-5-6-12-16-17-13(20)19(12)18-11/h1-6H,7-8,14H2,(H,15,18)(H,17,20).
What are the key properties of 6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 270.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66284020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).