tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin

C17H26N4O2Sn — CID 163212293

IUPACtert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin
SMILESCC(C)(C)[Sn]c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2
InChIInChI=1S/C13H17N4O2.C4H9.Sn/c18-11-9-16-12-13(15-5-4-14-12)17(11)6-1-10-2-7-19-8-3-10;1-4(2)3;/h4,10H,1-3,6-9H2,(H,14,16);1-3H3;
InChIKeyNZDTUXVALVAZDZ-UHFFFAOYSA-N
MW437.13 g/mol
LogP1.60
Rot. Bonds4

About tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin

tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin (PubChem CID 163212293) has the molecular formula C17H26N4O2Sn and a molecular weight of 437.13 g/mol. Its IUPAC name is tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin.

Molecular Properties

Compound Nametert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin
PubChem CID163212293
Molecular FormulaC17H26N4O2Sn
Molecular Weight437.13 g/mol
Exact Mass438.11
IUPAC Nametert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin
SMILESCC(C)(C)[Sn]c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2
InChIInChI=1S/C13H17N4O2.C4H9.Sn/c18-11-9-16-12-13(15-5-4-14-12)17(11)6-1-10-2-7-19-8-3-10;1-4(2)3;/h4,10H,1-3,6-9H2,(H,14,16);1-3H3;
InChIKeyNZDTUXVALVAZDZ-UHFFFAOYSA-N
XLogP1.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin?
The IUPAC name of tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin (CID 163212293) is tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin.
What is the SMILES notation for tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin?
The canonical SMILES for tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin is CC(C)(C)[Sn]c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2.
What is the InChIKey of tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin?
The InChIKey is NZDTUXVALVAZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N4O2.C4H9.Sn/c18-11-9-16-12-13(15-5-4-14-12)17(11)6-1-10-2-7-19-8-3-10;1-4(2)3;/h4,10H,1-3,6-9H2,(H,14,16);1-3H3;.
What are the key properties of tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin?
tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin has a molecular weight of 437.13 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 tert-butyl-[5-[2-(oxan-4-yl)ethyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl]tin is sourced from PubChem (CID 163212293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).