4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

C18H19N3O4 — CID 11709873

IUPAC4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-22-14-7-5-13(6-8-14)21-11-19-20-18(21)12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11H,1-4H3
InChIKeyBFMRQODNYPXDPU-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.97
Rot. Bonds6

About 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole (PubChem CID 11709873) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
PubChem CID11709873
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-22-14-7-5-13(6-8-14)21-11-19-20-18(21)12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11H,1-4H3
InChIKeyBFMRQODNYPXDPU-UHFFFAOYSA-N
XLogP2.97
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

T-115
CID 11566756
5-(4-Ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
CID 56945884
1-(4-Ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole
CID 56945990
3,4,5-trimethoxy-N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 606794
1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 11688687
2-Methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]phenol
CID 16109326
N,N-Dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-YL]aniline
CID 16109329
4-(3-Fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 16109330
[4-Phenyl-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
CID 984203
2-Methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]aniline
CID 44337432
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 46237053
5-(4-Methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 46237186

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole (CID 11709873) is 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole is COc1ccc(-n2cnnc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The InChIKey is BFMRQODNYPXDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-22-14-7-5-13(6-8-14)21-11-19-20-18(21)12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11H,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole has a molecular weight of 341.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 11709873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).