dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate

C8H14Li2N2O14 — CID 139086700

IUPACdilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate
SMILESO.O.O.O.O.O.O=C([O-])c1nc(C(=O)[O-])c(C(=O)[O-])nc1C(=O)[O-].[H+].[H+].[Li+].[Li+]
InChIInChI=1S/C8H4N2O8.2Li.6H2O/c11-5(12)1-2(6(13)14)10-4(8(17)18)3(9-1)7(15)16;;;;;;;;/h(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;6*1H2/q;2*+1;;;;;;/p-2
InChIKeyGJPYWAYMTKZLSX-UHFFFAOYSA-L
MW376.08 g/mol
LogP-16.78
Rot. Bonds4

About dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate

dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate (PubChem CID 139086700) has the molecular formula C8H14Li2N2O14 and a molecular weight of 376.08 g/mol. Its IUPAC name is dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate.

Molecular Properties

Compound Namedilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate
PubChem CID139086700
Molecular FormulaC8H14Li2N2O14
Molecular Weight376.08 g/mol
Exact Mass376.08
IUPAC Namedilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate
SMILESO.O.O.O.O.O.O=C([O-])c1nc(C(=O)[O-])c(C(=O)[O-])nc1C(=O)[O-].[H+].[H+].[Li+].[Li+]
InChIInChI=1S/C8H4N2O8.2Li.6H2O/c11-5(12)1-2(6(13)14)10-4(8(17)18)3(9-1)7(15)16;;;;;;;;/h(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;6*1H2/q;2*+1;;;;;;/p-2
InChIKeyGJPYWAYMTKZLSX-UHFFFAOYSA-L
XLogP-16.78
TPSA375.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.08
LogP ≤ 5-16.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium 3-chloro-6-methylpyridine-2-carboxylate
CID 66749896
sodium 3-carbamoylquinoxaline-2-carboxylate
CID 135044393
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
2,5-dichloro-1,3-thiazole-4-carboxylate
CID 19986180
cesium;lithium;carbonate;hydrate
CID 174795511
lithium;hydron;oxalate
CID 22141737
dibismuth;oxalate;heptahydrate
CID 172687404
2-methyl-1H-imidazole-4,5-dicarboxylate
CID 6994440
dilithium bis(4,6-dichloropyridazine-3-carboxylate)
CID 175822356
lithium;pyridine-4-carboxylate;dihydrate
CID 172830071
4-carboxy-1,2,5-thiadiazole-3-carboxylate
CID 1379891
dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)
CID 163323475

Frequently Asked Questions

What is the IUPAC name of dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate?
The IUPAC name of dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate (CID 139086700) is dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate.
What is the SMILES notation for dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate?
The canonical SMILES for dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate is O.O.O.O.O.O.O=C([O-])c1nc(C(=O)[O-])c(C(=O)[O-])nc1C(=O)[O-].[H+].[H+].[Li+].[Li+].
What is the InChIKey of dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate?
The InChIKey is GJPYWAYMTKZLSX-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H4N2O8.2Li.6H2O/c11-5(12)1-2(6(13)14)10-4(8(17)18)3(9-1)7(15)16;;;;;;;;/h(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;6*1H2/q;2*+1;;;;;;/p-2.
What are the key properties of dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate?
dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate has a molecular weight of 376.08 g/mol, XLogP of -16.78, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate is sourced from PubChem (CID 139086700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).