3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid

C14H22N4O8 — CID 11646466

IUPAC3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid
SMILESO=C(O)c1nc(N(CCO)CCO)c(C(=O)O)nc1N(CCO)CCO
InChIInChI=1S/C14H22N4O8/c19-5-1-17(2-6-20)11-9(13(23)24)16-12(10(15-11)14(25)26)18(3-7-21)4-8-22/h19-22H,1-8H2,(H,23,24)(H,25,26)
InChIKeyVUWDABAYNLYBOO-UHFFFAOYSA-N
MW374.35 g/mol
LogP-2.55
Rot. Bonds12

About 3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid

3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid (PubChem CID 11646466) has the molecular formula C14H22N4O8 and a molecular weight of 374.35 g/mol. Its IUPAC name is 3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid
PubChem CID11646466
Molecular FormulaC14H22N4O8
Molecular Weight374.35 g/mol
Exact Mass374.14
IUPAC Name3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid
SMILESO=C(O)c1nc(N(CCO)CCO)c(C(=O)O)nc1N(CCO)CCO
InChIInChI=1S/C14H22N4O8/c19-5-1-17(2-6-20)11-9(13(23)24)16-12(10(15-11)14(25)26)18(3-7-21)4-8-22/h19-22H,1-8H2,(H,23,24)(H,25,26)
InChIKeyVUWDABAYNLYBOO-UHFFFAOYSA-N
XLogP-2.55
TPSA187.78 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.35
LogP ≤ 5-2.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid?
The IUPAC name of 3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid (CID 11646466) is 3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid.
What is the SMILES notation for 3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid?
The canonical SMILES for 3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid is O=C(O)c1nc(N(CCO)CCO)c(C(=O)O)nc1N(CCO)CCO.
What is the InChIKey of 3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid?
The InChIKey is VUWDABAYNLYBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O8/c19-5-1-17(2-6-20)11-9(13(23)24)16-12(10(15-11)14(25)26)18(3-7-21)4-8-22/h19-22H,1-8H2,(H,23,24)(H,25,26).
What are the key properties of 3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid?
3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid has a molecular weight of 374.35 g/mol, XLogP of -2.55, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid is sourced from PubChem (CID 11646466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).