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

C18H19N3O4 — CID 46237053

IUPAC1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-n2ncnc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-22-14-7-5-13(6-8-14)21-18(19-11-20-21)12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11H,1-4H3
InChIKeyOAJOQIBDSPEKAQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.97
Rot. Bonds6

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

1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole (PubChem CID 46237053) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
PubChem CID46237053
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-n2ncnc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-22-14-7-5-13(6-8-14)21-18(19-11-20-21)12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11H,1-4H3
InChIKeyOAJOQIBDSPEKAQ-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole (CID 46237053) is 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole is COc1ccc(-n2ncnc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The InChIKey is OAJOQIBDSPEKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-22-14-7-5-13(6-8-14)21-18(19-11-20-21)12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
1-(4-methoxyphenyl)-5-(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 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 46237053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).