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

C16H16N8 — CID 77410364

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(C=Cc3nc4c(C)ncc(C)n4n3)nc12
InChIInChI=1S/C16H16N8/c1-9-7-17-11(3)15-19-13(21-23(9)15)5-6-14-20-16-12(4)18-8-10(2)24(16)22-14/h5-8H,1-4H3
InChIKeyZLEPAIUNYJMFCL-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.97
Rot. Bonds2

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

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 77410364) has the molecular formula C16H16N8 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID77410364
Molecular FormulaC16H16N8
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(C=Cc3nc4c(C)ncc(C)n4n3)nc12
InChIInChI=1S/C16H16N8/c1-9-7-17-11(3)15-19-13(21-23(9)15)5-6-14-20-16-12(4)18-8-10(2)24(16)22-14/h5-8H,1-4H3
InChIKeyZLEPAIUNYJMFCL-UHFFFAOYSA-N
XLogP1.97
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 77410364) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(C=Cc3nc4c(C)ncc(C)n4n3)nc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is ZLEPAIUNYJMFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8/c1-9-7-17-11(3)15-19-13(21-23(9)15)5-6-14-20-16-12(4)18-8-10(2)24(16)22-14/h5-8H,1-4H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 320.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 77410364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).