3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C22H21N3O4 — CID 162667738

IUPAC3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2nnc3ccc(-c4cc(OC)c(OC)c(OC)c4)cn23)cc1
InChIInChI=1S/C22H21N3O4/c1-26-17-8-5-14(6-9-17)22-24-23-20-10-7-15(13-25(20)22)16-11-18(27-2)21(29-4)19(12-16)28-3/h5-13H,1-4H3
InChIKeyWOLKWHLDWQYZRE-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.10
Rot. Bonds6

About 3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162667738) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162667738
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2nnc3ccc(-c4cc(OC)c(OC)c(OC)c4)cn23)cc1
InChIInChI=1S/C22H21N3O4/c1-26-17-8-5-14(6-9-17)22-24-23-20-10-7-15(13-25(20)22)16-11-18(27-2)21(29-4)19(12-16)28-3/h5-13H,1-4H3
InChIKeyWOLKWHLDWQYZRE-UHFFFAOYSA-N
XLogP4.10
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162667738) is 3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2nnc3ccc(-c4cc(OC)c(OC)c(OC)c4)cn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WOLKWHLDWQYZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-26-17-8-5-14(6-9-17)22-24-23-20-10-7-15(13-25(20)22)16-11-18(27-2)21(29-4)19(12-16)28-3/h5-13H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 391.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162667738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).