4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole

C19H21N3O5 — CID 11689249

IUPAC4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole
SMILESCOc1cc(OC)cc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)c1
InChIInChI=1S/C19H21N3O5/c1-23-14-6-12(7-15(10-14)24-2)16-11-22(21-20-16)13-8-17(25-3)19(27-5)18(9-13)26-4/h6-11H,1-5H3
InChIKeyUTFQOQJQAMSKKS-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.98
Rot. Bonds7

About 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole

4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole (PubChem CID 11689249) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole
PubChem CID11689249
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole
SMILESCOc1cc(OC)cc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)c1
InChIInChI=1S/C19H21N3O5/c1-23-14-6-12(7-15(10-14)24-2)16-11-22(21-20-16)13-8-17(25-3)19(27-5)18(9-13)26-4/h6-11H,1-5H3
InChIKeyUTFQOQJQAMSKKS-UHFFFAOYSA-N
XLogP2.98
TPSA76.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole 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 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole (CID 11689249) is 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole is COc1cc(OC)cc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
The InChIKey is UTFQOQJQAMSKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-23-14-6-12(7-15(10-14)24-2)16-11-22(21-20-16)13-8-17(25-3)19(27-5)18(9-13)26-4/h6-11H,1-5H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole has a molecular weight of 371.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole is sourced from PubChem (CID 11689249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).