4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole

C17H17N3O3 — CID 11500574

IUPAC4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole
SMILESCOc1ccc(-n2cc(-c3ccc(OC)c(OC)c3)nn2)cc1
InChIInChI=1S/C17H17N3O3/c1-21-14-7-5-13(6-8-14)20-11-15(18-19-20)12-4-9-16(22-2)17(10-12)23-3/h4-11H,1-3H3
InChIKeyABEYVFREBWODGZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.96
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole

4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole (PubChem CID 11500574) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole
PubChem CID11500574
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole
SMILESCOc1ccc(-n2cc(-c3ccc(OC)c(OC)c3)nn2)cc1
InChIInChI=1S/C17H17N3O3/c1-21-14-7-5-13(6-8-14)20-11-15(18-19-20)12-4-9-16(22-2)17(10-12)23-3/h4-11H,1-3H3
InChIKeyABEYVFREBWODGZ-UHFFFAOYSA-N
XLogP2.96
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole (CID 11500574) is 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole is COc1ccc(-n2cc(-c3ccc(OC)c(OC)c3)nn2)cc1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole?
The InChIKey is ABEYVFREBWODGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-21-14-7-5-13(6-8-14)20-11-15(18-19-20)12-4-9-16(22-2)17(10-12)23-3/h4-11H,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole?
4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole has a molecular weight of 311.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)triazole is sourced from PubChem (CID 11500574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).