2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine

C15H17N5O3 — CID 45496253

IUPAC2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine
SMILESCOc1cccc(-c2nnc3ccc(OCCN)nn23)c1OC
InChIInChI=1S/C15H17N5O3/c1-21-11-5-3-4-10(14(11)22-2)15-18-17-12-6-7-13(19-20(12)15)23-9-8-16/h3-7H,8-9,16H2,1-2H3
InChIKeyPSCIZABJOZTYSP-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.15
Rot. Bonds6

About 2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine

2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine (PubChem CID 45496253) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine
PubChem CID45496253
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine
SMILESCOc1cccc(-c2nnc3ccc(OCCN)nn23)c1OC
InChIInChI=1S/C15H17N5O3/c1-21-11-5-3-4-10(14(11)22-2)15-18-17-12-6-7-13(19-20(12)15)23-9-8-16/h3-7H,8-9,16H2,1-2H3
InChIKeyPSCIZABJOZTYSP-UHFFFAOYSA-N
XLogP1.15
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine 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-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine?
The IUPAC name of 2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine (CID 45496253) is 2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine?
The canonical SMILES for 2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine is COc1cccc(-c2nnc3ccc(OCCN)nn23)c1OC.
What is the InChIKey of 2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine?
The InChIKey is PSCIZABJOZTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-21-11-5-3-4-10(14(11)22-2)15-18-17-12-6-7-13(19-20(12)15)23-9-8-16/h3-7H,8-9,16H2,1-2H3.
What are the key properties of 2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine?
2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine has a molecular weight of 315.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine is sourced from PubChem (CID 45496253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).