9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one

C16H19N3OSi — CID 58574262

IUPAC9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one
SMILESC[Si](C)(C)C#Cc1ccc2c(=O)n3c(nc2c1)CNCC3
InChIInChI=1S/C16H19N3OSi/c1-21(2,3)9-6-12-4-5-13-14(10-12)18-15-11-17-7-8-19(15)16(13)20/h4-5,10,17H,7-8,11H2,1-3H3
InChIKeyAGXLHYYQGRUHDK-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.73
Rot. Bonds

About 9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one

9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one (PubChem CID 58574262) has the molecular formula C16H19N3OSi and a molecular weight of 297.43 g/mol. Its IUPAC name is 9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one
PubChem CID58574262
Molecular FormulaC16H19N3OSi
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one
SMILESC[Si](C)(C)C#Cc1ccc2c(=O)n3c(nc2c1)CNCC3
InChIInChI=1S/C16H19N3OSi/c1-21(2,3)9-6-12-4-5-13-14(10-12)18-15-11-17-7-8-19(15)16(13)20/h4-5,10,17H,7-8,11H2,1-3H3
InChIKeyAGXLHYYQGRUHDK-UHFFFAOYSA-N
XLogP1.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one?
The IUPAC name of 9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one (CID 58574262) is 9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one.
What is the SMILES notation for 9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one?
The canonical SMILES for 9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one is C[Si](C)(C)C#Cc1ccc2c(=O)n3c(nc2c1)CNCC3.
What is the InChIKey of 9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one?
The InChIKey is AGXLHYYQGRUHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OSi/c1-21(2,3)9-6-12-4-5-13-14(10-12)18-15-11-17-7-8-19(15)16(13)20/h4-5,10,17H,7-8,11H2,1-3H3.
What are the key properties of 9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one?
9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one has a molecular weight of 297.43 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-trimethylsilylethynyl)-1,2,3,4-tetrahydropyrazino[2,1-b]quinazolin-6-one is sourced from PubChem (CID 58574262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).