6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C21H20N4O3 — CID 134148275

IUPAC6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3ccc(-c4ccc(C)cc4)nn23)c(OC)c1OC
InChIInChI=1S/C21H20N4O3/c1-13-5-7-14(8-6-13)16-10-12-18-22-23-21(25(18)24-16)15-9-11-17(26-2)20(28-4)19(15)27-3/h5-12H,1-4H3
InChIKeyIAAIIVBLWIZVJF-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.79
Rot. Bonds5

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

6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134148275) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134148275
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3ccc(-c4ccc(C)cc4)nn23)c(OC)c1OC
InChIInChI=1S/C21H20N4O3/c1-13-5-7-14(8-6-13)16-10-12-18-22-23-21(25(18)24-16)15-9-11-17(26-2)20(28-4)19(15)27-3/h5-12H,1-4H3
InChIKeyIAAIIVBLWIZVJF-UHFFFAOYSA-N
XLogP3.79
TPSA70.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 134148275) is 6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(-c2nnc3ccc(-c4ccc(C)cc4)nn23)c(OC)c1OC.
What is the InChIKey of 6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IAAIIVBLWIZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-5-7-14(8-6-13)16-10-12-18-22-23-21(25(18)24-16)15-9-11-17(26-2)20(28-4)19(15)27-3/h5-12H,1-4H3.
What are the key properties of 6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 376.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134148275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).