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

C15H20N6O3Si — CID 172714727

IUPAC8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCC1CN(C(=O)O)C(=O)c2nnc(-c3cnccn3)n21
InChIInChI=1S/C15H20N6O3Si/c1-25(2,3)7-4-10-9-20(15(23)24)14(22)13-19-18-12(21(10)13)11-8-16-5-6-17-11/h5-6,8,10H,4,7,9H2,1-3H3,(H,23,24)
InChIKeyFSDLETDVXNFWJU-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.14
Rot. Bonds4

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

8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid (PubChem CID 172714727) has the molecular formula C15H20N6O3Si and a molecular weight of 360.45 g/mol. Its IUPAC name is 8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
PubChem CID172714727
Molecular FormulaC15H20N6O3Si
Molecular Weight360.45 g/mol
Exact Mass360.14
IUPAC Name8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCC1CN(C(=O)O)C(=O)c2nnc(-c3cnccn3)n21
InChIInChI=1S/C15H20N6O3Si/c1-25(2,3)7-4-10-9-20(15(23)24)14(22)13-19-18-12(21(10)13)11-8-16-5-6-17-11/h5-6,8,10H,4,7,9H2,1-3H3,(H,23,24)
InChIKeyFSDLETDVXNFWJU-UHFFFAOYSA-N
XLogP2.14
TPSA114.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
The IUPAC name of 8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid (CID 172714727) is 8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid is C[Si](C)(C)CCC1CN(C(=O)O)C(=O)c2nnc(-c3cnccn3)n21.
What is the InChIKey of 8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
The InChIKey is FSDLETDVXNFWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3Si/c1-25(2,3)7-4-10-9-20(15(23)24)14(22)13-19-18-12(21(10)13)11-8-16-5-6-17-11/h5-6,8,10H,4,7,9H2,1-3H3,(H,23,24).
What are the key properties of 8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-3-pyrazin-2-yl-5-(2-trimethylsilylethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 172714727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).