5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole

C11H9N5 — CID 2764127

IUPAC5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole
SMILESc1ccc(-n2ccnc2)c(-c2ncn[nH]2)c1
InChIInChI=1S/C11H9N5/c1-2-4-10(16-6-5-12-8-16)9(3-1)11-13-7-14-15-11/h1-8H,(H,13,14,15)
InChIKeyMEOQWPMLKZKWFI-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.66
Rot. Bonds2

About 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole

5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole (PubChem CID 2764127) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole
PubChem CID2764127
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole
SMILESc1ccc(-n2ccnc2)c(-c2ncn[nH]2)c1
InChIInChI=1S/C11H9N5/c1-2-4-10(16-6-5-12-8-16)9(3-1)11-13-7-14-15-11/h1-8H,(H,13,14,15)
InChIKeyMEOQWPMLKZKWFI-UHFFFAOYSA-N
XLogP1.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-imidazol-1-ylphenyl)-1H-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 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole (CID 2764127) is 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole is c1ccc(-n2ccnc2)c(-c2ncn[nH]2)c1.
What is the InChIKey of 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole?
The InChIKey is MEOQWPMLKZKWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-2-4-10(16-6-5-12-8-16)9(3-1)11-13-7-14-15-11/h1-8H,(H,13,14,15).
What are the key properties of 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole?
5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole has a molecular weight of 211.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 2764127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).