6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C21H19FN4O4 — CID 134154021

IUPAC6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2ccc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1F
InChIInChI=1S/C21H19FN4O4/c1-27-16-7-5-12(9-14(16)22)15-6-8-19-23-24-21(26(19)25-15)13-10-17(28-2)20(30-4)18(11-13)29-3/h5-11H,1-4H3
InChIKeyLACPIGJJDJXXKU-UHFFFAOYSA-N
MW410.41 g/mol
LogP3.63
Rot. Bonds6

About 6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134154021) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134154021
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2ccc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1F
InChIInChI=1S/C21H19FN4O4/c1-27-16-7-5-12(9-14(16)22)15-6-8-19-23-24-21(26(19)25-15)13-10-17(28-2)20(30-4)18(11-13)29-3/h5-11H,1-4H3
InChIKeyLACPIGJJDJXXKU-UHFFFAOYSA-N
XLogP3.63
TPSA80.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine 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-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 134154021) is 6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(-c2ccc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LACPIGJJDJXXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-27-16-7-5-12(9-14(16)22)15-6-8-19-23-24-21(26(19)25-15)13-10-17(28-2)20(30-4)18(11-13)29-3/h5-11H,1-4H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 410.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134154021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).