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

C16H26N4O2Sn — CID 66606705

IUPAC5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESC[Sn](C)(C)c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2
InChIInChI=1S/C13H17N4O2.3CH3.Sn/c18-11-9-16-12-13(15-5-4-14-12)17(11)6-1-10-2-7-19-8-3-10;;;;/h4,10H,1-3,6-9H2,(H,14,16);3*1H3;
InChIKeyPFKSZLBCUGBMCY-UHFFFAOYSA-N
MW425.12 g/mol
LogP1.60
Rot. Bonds4

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

5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 66606705) has the molecular formula C16H26N4O2Sn and a molecular weight of 425.12 g/mol. Its IUPAC name is 5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID66606705
Molecular FormulaC16H26N4O2Sn
Molecular Weight425.12 g/mol
Exact Mass426.11
IUPAC Name5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESC[Sn](C)(C)c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2
InChIInChI=1S/C13H17N4O2.3CH3.Sn/c18-11-9-16-12-13(15-5-4-14-12)17(11)6-1-10-2-7-19-8-3-10;;;;/h4,10H,1-3,6-9H2,(H,14,16);3*1H3;
InChIKeyPFKSZLBCUGBMCY-UHFFFAOYSA-N
XLogP1.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.12
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 66606705) is 5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is C[Sn](C)(C)c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2.
What is the InChIKey of 5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is PFKSZLBCUGBMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N4O2.3CH3.Sn/c18-11-9-16-12-13(15-5-4-14-12)17(11)6-1-10-2-7-19-8-3-10;;;;/h4,10H,1-3,6-9H2,(H,14,16);3*1H3;.
What are the key properties of 5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 425.12 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-4-yl)ethyl]-3-trimethylstannyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 66606705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).