lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide

C9H15LiN2O2 — CID 14309603

IUPAClithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[CH-]1.[Li+]
InChIInChI=1S/C9H15N2O2.Li/c1-6(2)8-9(13-4)10-5-7(11-8)12-3;/h5-6,8H,1-4H3;/q-1;+1/t8-;/m1./s1
InChIKeyUGPJRTUOQVOPJC-DDWIOCJRSA-N
MW190.17 g/mol
LogP-1.72
Rot. Bonds1

About lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide

lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide (PubChem CID 14309603) has the molecular formula C9H15LiN2O2 and a molecular weight of 190.17 g/mol. Its IUPAC name is lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide.

Molecular Properties

Compound Namelithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide
PubChem CID14309603
Molecular FormulaC9H15LiN2O2
Molecular Weight190.17 g/mol
Exact Mass190.13
IUPAC Namelithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[CH-]1.[Li+]
InChIInChI=1S/C9H15N2O2.Li/c1-6(2)8-9(13-4)10-5-7(11-8)12-3;/h5-6,8H,1-4H3;/q-1;+1/t8-;/m1./s1
InChIKeyUGPJRTUOQVOPJC-DDWIOCJRSA-N
XLogP-1.72
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide?
The IUPAC name of lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide (CID 14309603) is lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide.
What is the SMILES notation for lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide?
The canonical SMILES for lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide is COC1=N[C@H](C(C)C)C(OC)=N[CH-]1.[Li+].
What is the InChIKey of lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide?
The InChIKey is UGPJRTUOQVOPJC-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H15N2O2.Li/c1-6(2)8-9(13-4)10-5-7(11-8)12-3;/h5-6,8H,1-4H3;/q-1;+1/t8-;/m1./s1.
What are the key properties of lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide?
lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide has a molecular weight of 190.17 g/mol, XLogP of -1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazin-5-ide is sourced from PubChem (CID 14309603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).