2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

C15H20N6O3Si — CID 90402531

About 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 90402531) has the molecular formula C15H20N6O3Si and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
• PubChem CID: 90402531
• Molecular Formula: C15H20N6O3Si
• Molecular Weight: 360.45 g/mol
• Exact Mass: 360.14
• IUPAC Name: 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
• SMILES: C[Si](C)(C)CCOC(=O)N1CCn2c(nnc2-c2cnccn2)C1=O
• InChI: InChI=1S/C15H20N6O3Si/c1-25(2,3)9-8-24-15(23)21-7-6-20-12(11-10-16-4-5-17-11)18-19-13(20)14(21)22/h4-5,10H,6-9H2,1-3H3
• InChIKey: AMNMAQLWUHSNEF-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 103.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.45
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The IUPAC name of 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (CID 90402531) is 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

What is the SMILES notation for 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The canonical SMILES for 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is C[Si](C)(C)CCOC(=O)N1CCn2c(nnc2-c2cnccn2)C1=O.

What is the InChIKey of 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The InChIKey is AMNMAQLWUHSNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3Si/c1-25(2,3)9-8-24-15(23)21-7-6-20-12(11-10-16-4-5-17-11)18-19-13(20)14(21)22/h4-5,10H,6-9H2,1-3H3.

What are the key properties of 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl 8-oxo-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 90402531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).