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

C17H28N4O2Sn — CID 66607424

IUPAC5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(CN2C(=O)CNc3ncc([Sn](C)(C)C)nc32)CC1
InChIInChI=1S/C14H19N4O2.3CH3.Sn/c1-20-11-4-2-10(3-5-11)9-18-12(19)8-17-13-14(18)16-7-6-15-13;;;;/h6,10-11H,2-5,8-9H2,1H3,(H,15,17);3*1H3;
InChIKeyDQAKONKAKBTMPV-UHFFFAOYSA-N
MW439.15 g/mol
LogP1.99
Rot. Bonds4

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

5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 66607424) has the molecular formula C17H28N4O2Sn and a molecular weight of 439.15 g/mol. Its IUPAC name is 5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID66607424
Molecular FormulaC17H28N4O2Sn
Molecular Weight439.15 g/mol
Exact Mass440.12
IUPAC Name5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(CN2C(=O)CNc3ncc([Sn](C)(C)C)nc32)CC1
InChIInChI=1S/C14H19N4O2.3CH3.Sn/c1-20-11-4-2-10(3-5-11)9-18-12(19)8-17-13-14(18)16-7-6-15-13;;;;/h6,10-11H,2-5,8-9H2,1H3,(H,15,17);3*1H3;
InChIKeyDQAKONKAKBTMPV-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 66607424) is 5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is COC1CCC(CN2C(=O)CNc3ncc([Sn](C)(C)C)nc32)CC1.
What is the InChIKey of 5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is DQAKONKAKBTMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N4O2.3CH3.Sn/c1-20-11-4-2-10(3-5-11)9-18-12(19)8-17-13-14(18)16-7-6-15-13;;;;/h6,10-11H,2-5,8-9H2,1H3,(H,15,17);3*1H3;.
What are the key properties of 5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 439.15 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxycyclohexyl)methyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 66607424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).