3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile

C14H24N4OSi — CID 122154492

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile
SMILESCN(CCO[Si](C)(C)C(C)(C)C)c1nccnc1C#N
InChIInChI=1S/C14H24N4OSi/c1-14(2,3)20(5,6)19-10-9-18(4)13-12(11-15)16-7-8-17-13/h7-8H,9-10H2,1-6H3
InChIKeyXLXQBDWBPNZYBM-UHFFFAOYSA-N
MW292.46 g/mol
LogP2.81
Rot. Bonds5

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile (PubChem CID 122154492) has the molecular formula C14H24N4OSi and a molecular weight of 292.46 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile
PubChem CID122154492
Molecular FormulaC14H24N4OSi
Molecular Weight292.46 g/mol
Exact Mass292.17
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile
SMILESCN(CCO[Si](C)(C)C(C)(C)C)c1nccnc1C#N
InChIInChI=1S/C14H24N4OSi/c1-14(2,3)20(5,6)19-10-9-18(4)13-12(11-15)16-7-8-17-13/h7-8H,9-10H2,1-6H3
InChIKeyXLXQBDWBPNZYBM-UHFFFAOYSA-N
XLogP2.81
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile (CID 122154492) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile is CN(CCO[Si](C)(C)C(C)(C)C)c1nccnc1C#N.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile?
The InChIKey is XLXQBDWBPNZYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OSi/c1-14(2,3)20(5,6)19-10-9-18(4)13-12(11-15)16-7-8-17-13/h7-8H,9-10H2,1-6H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile has a molecular weight of 292.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 122154492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).