2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C18H15BrN6 — CID 118111693

IUPAC2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(/C=C/c3nc(Br)cn3-c3ccccc3)nc12
InChIInChI=1S/C18H15BrN6/c1-12-10-20-13(2)18-22-16(23-25(12)18)8-9-17-21-15(19)11-24(17)14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+
InChIKeyABTYZKGACAMALY-CMDGGOBGSA-N
MW395.26 g/mol
LogP3.86
Rot. Bonds3

About 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 118111693) has the molecular formula C18H15BrN6 and a molecular weight of 395.26 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID118111693
Molecular FormulaC18H15BrN6
Molecular Weight395.26 g/mol
Exact Mass394.05
IUPAC Name2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(/C=C/c3nc(Br)cn3-c3ccccc3)nc12
InChIInChI=1S/C18H15BrN6/c1-12-10-20-13(2)18-22-16(23-25(12)18)8-9-17-21-15(19)11-24(17)14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+
InChIKeyABTYZKGACAMALY-CMDGGOBGSA-N
XLogP3.86
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

Adipiplon
CID 11198924
5,8-Dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90024886
US10399985, Example 8
CID 118278241
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
US10399985, Example 30
CID 118278101
3-Methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278175
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 7
CID 118278206
US10399985, Example 17
CID 118278237
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 118111693) is 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(/C=C/c3nc(Br)cn3-c3ccccc3)nc12.
What is the InChIKey of 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is ABTYZKGACAMALY-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H15BrN6/c1-12-10-20-13(2)18-22-16(23-25(12)18)8-9-17-21-15(19)11-24(17)14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+.
What are the key properties of 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 395.26 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-bromo-1-phenylimidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 118111693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).