2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C12H12N6 — CID 141412869

IUPAC2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(C=CC3=NCC=N3)nc12
InChIInChI=1S/C12H12N6/c1-8-7-15-9(2)12-16-11(17-18(8)12)4-3-10-13-5-6-14-10/h3-5,7H,6H2,1-2H3
InChIKeyGMUQCYJTOATYKK-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.24
Rot. Bonds2

About 2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 141412869) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID141412869
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(C=CC3=NCC=N3)nc12
InChIInChI=1S/C12H12N6/c1-8-7-15-9(2)12-16-11(17-18(8)12)4-3-10-13-5-6-14-10/h3-5,7H,6H2,1-2H3
InChIKeyGMUQCYJTOATYKK-UHFFFAOYSA-N
XLogP1.24
TPSA67.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 141412869) is 2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(C=CC3=NCC=N3)nc12.
What is the InChIKey of 2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is GMUQCYJTOATYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-7-15-9(2)12-16-11(17-18(8)12)4-3-10-13-5-6-14-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 240.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4H-imidazol-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 141412869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).