8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

C17H28N4O2Sn — CID 67380595

IUPAC8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCCOC1(N2CC(=O)Nc3ncc([Sn](C)(C)C)nc32)CCCCC1
InChIInChI=1S/C14H19N4O2.3CH3.Sn/c1-2-20-14(6-4-3-5-7-14)18-10-11(19)17-12-13(18)16-9-8-15-12;;;;/h8H,2-7,10H2,1H3,(H,15,17,19);3*1H3;
InChIKeyHUBIWKLLFPPXNZ-UHFFFAOYSA-N
MW439.15 g/mol
LogP2.48
Rot. Bonds4

About 8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 67380595) has the molecular formula C17H28N4O2Sn and a molecular weight of 439.15 g/mol. Its IUPAC name is 8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID67380595
Molecular FormulaC17H28N4O2Sn
Molecular Weight439.15 g/mol
Exact Mass440.12
IUPAC Name8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCCOC1(N2CC(=O)Nc3ncc([Sn](C)(C)C)nc32)CCCCC1
InChIInChI=1S/C14H19N4O2.3CH3.Sn/c1-2-20-14(6-4-3-5-7-14)18-10-11(19)17-12-13(18)16-9-8-15-12;;;;/h8H,2-7,10H2,1H3,(H,15,17,19);3*1H3;
InChIKeyHUBIWKLLFPPXNZ-UHFFFAOYSA-N
XLogP2.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.15
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 67380595) is 8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is CCOC1(N2CC(=O)Nc3ncc([Sn](C)(C)C)nc32)CCCCC1.
What is the InChIKey of 8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is HUBIWKLLFPPXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N4O2.3CH3.Sn/c1-2-20-14(6-4-3-5-7-14)18-10-11(19)17-12-13(18)16-9-8-15-12;;;;/h8H,2-7,10H2,1H3,(H,15,17,19);3*1H3;.
What are the key properties of 8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 439.15 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 67380595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).