3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid

C10H14N4O4 — CID 11644546

IUPAC3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid
SMILESCN(C)c1nc(C(=O)O)c(N(C)C)nc1C(=O)O
InChIInChI=1S/C10H14N4O4/c1-13(2)7-5(9(15)16)12-8(14(3)4)6(11-7)10(17)18/h1-4H3,(H,15,16)(H,17,18)
InChIKeyWFNRTJKSJFNPBB-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.00
Rot. Bonds4

About 3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid

3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid (PubChem CID 11644546) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid
PubChem CID11644546
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid
SMILESCN(C)c1nc(C(=O)O)c(N(C)C)nc1C(=O)O
InChIInChI=1S/C10H14N4O4/c1-13(2)7-5(9(15)16)12-8(14(3)4)6(11-7)10(17)18/h1-4H3,(H,15,16)(H,17,18)
InChIKeyWFNRTJKSJFNPBB-UHFFFAOYSA-N
XLogP0.00
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid?
The IUPAC name of 3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid (CID 11644546) is 3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid.
What is the SMILES notation for 3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid?
The canonical SMILES for 3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid is CN(C)c1nc(C(=O)O)c(N(C)C)nc1C(=O)O.
What is the InChIKey of 3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid?
The InChIKey is WFNRTJKSJFNPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-13(2)7-5(9(15)16)12-8(14(3)4)6(11-7)10(17)18/h1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid?
3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(dimethylamino)pyrazine-2,5-dicarboxylic acid is sourced from PubChem (CID 11644546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).