5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole

C18H18BrN3O4 — CID 44585271

IUPAC5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole
SMILESCOc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1Br
InChIInChI=1S/C18H18BrN3O4/c1-23-15-6-5-11(7-13(15)19)14-10-20-21-22(14)12-8-16(24-2)18(26-4)17(9-12)25-3/h5-10H,1-4H3
InChIKeyFGUKVEHZMNJKPK-UHFFFAOYSA-N
MW420.26 g/mol
LogP3.73
Rot. Bonds6

About 5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole

5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole (PubChem CID 44585271) has the molecular formula C18H18BrN3O4 and a molecular weight of 420.26 g/mol. Its IUPAC name is 5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole.

Molecular Properties

Compound Name5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole
PubChem CID44585271
Molecular FormulaC18H18BrN3O4
Molecular Weight420.26 g/mol
Exact Mass419.05
IUPAC Name5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole
SMILESCOc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1Br
InChIInChI=1S/C18H18BrN3O4/c1-23-15-6-5-11(7-13(15)19)14-10-20-21-22(14)12-8-16(24-2)18(26-4)17(9-12)25-3/h5-10H,1-4H3
InChIKeyFGUKVEHZMNJKPK-UHFFFAOYSA-N
XLogP3.73
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
CID 25067808
5-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585270
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585261
1-(3,4,5-Trimethoxyphenyl)-5-(3-amino-4-methoxyphenyl)-1,2,3-triazole
CID 25014635
1-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole
CID 73334561
5-Methoxy-2-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
CID 136126530
2-Methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol
CID 44585268
5-(4-Methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)triazole
CID 44585276
3-Methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diamine
CID 56840438
5-(2,3-Difluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole
CID 56840439
1-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)triazole
CID 73334658
3-Methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol
CID 135984439

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
The IUPAC name of 5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole (CID 44585271) is 5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole.
What is the SMILES notation for 5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
The canonical SMILES for 5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole is COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
The InChIKey is FGUKVEHZMNJKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O4/c1-23-15-6-5-11(7-13(15)19)14-10-20-21-22(14)12-8-16(24-2)18(26-4)17(9-12)25-3/h5-10H,1-4H3.
What are the key properties of 5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole has a molecular weight of 420.26 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole is sourced from PubChem (CID 44585271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).