1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole

C15H17N5O — CID 56870809

IUPAC1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole
SMILESCCn1ncnc1-c1nccn1CCOc1ccccc1
InChIInChI=1S/C15H17N5O/c1-2-20-15(17-12-18-20)14-16-8-9-19(14)10-11-21-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3
InChIKeyXEXYBPFDQDHTFC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.24
Rot. Bonds6

About 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole

1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole (PubChem CID 56870809) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole
PubChem CID56870809
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole
SMILESCCn1ncnc1-c1nccn1CCOc1ccccc1
InChIInChI=1S/C15H17N5O/c1-2-20-15(17-12-18-20)14-16-8-9-19(14)10-11-21-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3
InChIKeyXEXYBPFDQDHTFC-UHFFFAOYSA-N
XLogP2.24
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole (CID 56870809) is 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole is CCn1ncnc1-c1nccn1CCOc1ccccc1.
What is the InChIKey of 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole?
The InChIKey is XEXYBPFDQDHTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-20-15(17-12-18-20)14-16-8-9-19(14)10-11-21-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3.
What are the key properties of 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole?
1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole has a molecular weight of 283.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[1-(2-phenoxyethyl)imidazol-2-yl]-1,2,4-triazole is sourced from PubChem (CID 56870809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).