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

C15H22N6O2Si — CID 90402431

IUPAC2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CCn2c(nnc2-c2cnccn2)C1
InChIInChI=1S/C15H22N6O2Si/c1-24(2,3)9-8-23-15(22)20-6-7-21-13(11-20)18-19-14(21)12-10-16-4-5-17-12/h4-5,10H,6-9,11H2,1-3H3
InChIKeyUOBXTPDONRTMLL-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.03
Rot. Bonds4

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

2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 90402431) has the molecular formula C15H22N6O2Si and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
PubChem CID90402431
Molecular FormulaC15H22N6O2Si
Molecular Weight346.47 g/mol
Exact Mass346.16
IUPAC Name2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CCn2c(nnc2-c2cnccn2)C1
InChIInChI=1S/C15H22N6O2Si/c1-24(2,3)9-8-23-15(22)20-6-7-21-13(11-20)18-19-14(21)12-10-16-4-5-17-12/h4-5,10H,6-9,11H2,1-3H3
InChIKeyUOBXTPDONRTMLL-UHFFFAOYSA-N
XLogP2.03
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.03
H-Bond Donors ≤ 50
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 2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (CID 90402431) is 2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is C[Si](C)(C)CCOC(=O)N1CCn2c(nnc2-c2cnccn2)C1.
What is the InChIKey of 2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The InChIKey is UOBXTPDONRTMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2Si/c1-24(2,3)9-8-23-15(22)20-6-7-21-13(11-20)18-19-14(21)12-10-16-4-5-17-12/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 90402431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).