lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide

C11H19LiN2O2 — CID 10998477

IUPAClithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide
SMILESCCOC1=CN=C(OCC)[C@H](C(C)C)[N-]1.[Li+]
InChIInChI=1S/C11H19N2O2.Li/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4;/h7-8,10H,5-6H2,1-4H3;/q-1;+1/t10-;/m0./s1
InChIKeyFYONGHKDIDRFJX-PPHPATTJSA-N
MW218.23 g/mol
LogP-0.33
Rot. Bonds4

About lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide

lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide (PubChem CID 10998477) has the molecular formula C11H19LiN2O2 and a molecular weight of 218.23 g/mol. Its IUPAC name is lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide.

Molecular Properties

Compound Namelithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide
PubChem CID10998477
Molecular FormulaC11H19LiN2O2
Molecular Weight218.23 g/mol
Exact Mass218.16
IUPAC Namelithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide
SMILESCCOC1=CN=C(OCC)[C@H](C(C)C)[N-]1.[Li+]
InChIInChI=1S/C11H19N2O2.Li/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4;/h7-8,10H,5-6H2,1-4H3;/q-1;+1/t10-;/m0./s1
InChIKeyFYONGHKDIDRFJX-PPHPATTJSA-N
XLogP-0.33
TPSA44.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine
CID 100935179
3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine
CID 161224014
(S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol
CID 162763204
(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 67746400
1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one
CID 59739700
1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol
CID 133054346
3-chloro-2-ethoxy-6-fluoropyridine
CID 53439486
3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine
CID 143782088
(2R,5R)-3,6-diethoxy-2-[[[(2R,5R)-6-ethoxy-3-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyldisulfanyl]methyl]-5-propan-2-yl-2,5-dihydropyrazine
CID 87664416
5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine
CID 54446328
1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol
CID 145366870
3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane
CID 15484763

Frequently Asked Questions

What is the IUPAC name of lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide?
The IUPAC name of lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide (CID 10998477) is lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide.
What is the SMILES notation for lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide?
The canonical SMILES for lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide is CCOC1=CN=C(OCC)[C@H](C(C)C)[N-]1.[Li+].
What is the InChIKey of lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide?
The InChIKey is FYONGHKDIDRFJX-PPHPATTJSA-N. The full InChI is InChI=1S/C11H19N2O2.Li/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4;/h7-8,10H,5-6H2,1-4H3;/q-1;+1/t10-;/m0./s1.
What are the key properties of lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide?
lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide has a molecular weight of 218.23 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide is sourced from PubChem (CID 10998477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).