5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

C20H23N3O4 — CID 46237320

IUPAC5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILESCOc1cc(-n2ncnc2-c2ccc(OC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O4/c1-13(2)27-16-8-6-14(7-9-16)20-21-12-22-23(20)15-10-17(24-3)19(26-5)18(11-15)25-4/h6-13H,1-5H3
InChIKeyDSBZLZOKEUEGKL-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.75
Rot. Bonds7

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

5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole (PubChem CID 46237320) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
PubChem CID46237320
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILESCOc1cc(-n2ncnc2-c2ccc(OC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O4/c1-13(2)27-16-8-6-14(7-9-16)20-21-12-22-23(20)15-10-17(24-3)19(26-5)18(11-15)25-4/h6-13H,1-5H3
InChIKeyDSBZLZOKEUEGKL-UHFFFAOYSA-N
XLogP3.75
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole (CID 46237320) is 5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole is COc1cc(-n2ncnc2-c2ccc(OC(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The InChIKey is DSBZLZOKEUEGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)27-16-8-6-14(7-9-16)20-21-12-22-23(20)15-10-17(24-3)19(26-5)18(11-15)25-4/h6-13H,1-5H3.
What are the key properties of 5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole has a molecular weight of 369.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 46237320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).