3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole

C18H19N3O — CID 50974031

IUPAC3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole
SMILESc1ccc(CCc2nc(CCOc3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H19N3O/c1-3-7-15(8-4-1)11-12-17-19-18(21-20-17)13-14-22-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20,21)
InChIKeyVMFRPAUSOIEHJJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.21
Rot. Bonds7

About 3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole

3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole (PubChem CID 50974031) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole
PubChem CID50974031
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole
SMILESc1ccc(CCc2nc(CCOc3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H19N3O/c1-3-7-15(8-4-1)11-12-17-19-18(21-20-17)13-14-22-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20,21)
InChIKeyVMFRPAUSOIEHJJ-UHFFFAOYSA-N
XLogP3.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole (CID 50974031) is 3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole is c1ccc(CCc2nc(CCOc3ccccc3)n[nH]2)cc1.
What is the InChIKey of 3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole?
The InChIKey is VMFRPAUSOIEHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-7-15(8-4-1)11-12-17-19-18(21-20-17)13-14-22-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20,21).
What are the key properties of 3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole?
3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole has a molecular weight of 293.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-5-(2-phenylethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 50974031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).