8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

C16H26N4O2Sn — CID 66607908

IUPAC8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(N2CC(=O)Nc3ncc([Sn](C)(C)C)nc32)CC1
InChIInChI=1S/C13H17N4O2.3CH3.Sn/c1-19-10-4-2-9(3-5-10)17-8-11(18)16-12-13(17)15-7-6-14-12;;;;/h6,9-10H,2-5,8H2,1H3,(H,14,16,18);3*1H3;
InChIKeyIYUQTUZPPFFOHF-UHFFFAOYSA-N
MW425.12 g/mol
LogP1.74
Rot. Bonds3

About 8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 66607908) has the molecular formula C16H26N4O2Sn and a molecular weight of 425.12 g/mol. Its IUPAC name is 8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID66607908
Molecular FormulaC16H26N4O2Sn
Molecular Weight425.12 g/mol
Exact Mass426.11
IUPAC Name8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(N2CC(=O)Nc3ncc([Sn](C)(C)C)nc32)CC1
InChIInChI=1S/C13H17N4O2.3CH3.Sn/c1-19-10-4-2-9(3-5-10)17-8-11(18)16-12-13(17)15-7-6-14-12;;;;/h6,9-10H,2-5,8H2,1H3,(H,14,16,18);3*1H3;
InChIKeyIYUQTUZPPFFOHF-UHFFFAOYSA-N
XLogP1.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.12
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 66607908) is 8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is COC1CCC(N2CC(=O)Nc3ncc([Sn](C)(C)C)nc32)CC1.
What is the InChIKey of 8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is IYUQTUZPPFFOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N4O2.3CH3.Sn/c1-19-10-4-2-9(3-5-10)17-8-11(18)16-12-13(17)15-7-6-14-12;;;;/h6,9-10H,2-5,8H2,1H3,(H,14,16,18);3*1H3;.
What are the key properties of 8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 425.12 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxycyclohexyl)-2-trimethylstannyl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 66607908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).