3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid

C14H20N6O4 — CID 24860790

IUPAC3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid
SMILESO=C(O)c1nc(N2CCNCC2)c(C(=O)O)nc1N1CCNCC1
InChIInChI=1S/C14H20N6O4/c21-13(22)9-11(19-5-1-15-2-6-19)17-10(14(23)24)12(18-9)20-7-3-16-4-8-20/h15-16H,1-8H2,(H,21,22)(H,23,24)
InChIKeyZDUFZSSHMJIQSM-UHFFFAOYSA-N
MW336.35 g/mol
LogP-1.31
Rot. Bonds4

About 3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid

3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid (PubChem CID 24860790) has the molecular formula C14H20N6O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid
PubChem CID24860790
Molecular FormulaC14H20N6O4
Molecular Weight336.35 g/mol
Exact Mass336.15
IUPAC Name3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid
SMILESO=C(O)c1nc(N2CCNCC2)c(C(=O)O)nc1N1CCNCC1
InChIInChI=1S/C14H20N6O4/c21-13(22)9-11(19-5-1-15-2-6-19)17-10(14(23)24)12(18-9)20-7-3-16-4-8-20/h15-16H,1-8H2,(H,21,22)(H,23,24)
InChIKeyZDUFZSSHMJIQSM-UHFFFAOYSA-N
XLogP-1.31
TPSA130.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-Amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443497
3,6-Bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid
CID 11508473
3,6-Bis(dimethylamino)pyrazine-2,5-dicarboxylic acid
CID 11644546
3,6-Bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid
CID 11646466
3-Amino-6-chloro-5-(ethylamino)pyrazine-2-carboxylic acid
CID 12319182
3-Amino-6-chloro-5-[(1-methylethyl)amino]-2-pyrazinecarboxylic acid
CID 22000384
3,6-Dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid
CID 24860727
3,6-Dithiomorpholin-4-ylpyrazine-2,5-dicarboxylic acid
CID 24860791
3,6-Bis(1-oxo-1,4-thiazinan-4-yl)pyrazine-2,5-dicarboxylic acid
CID 24860792
3-(1-Piperazinyl)-2-pyrazinecarboxylic acid
CID 63692755
5-(Piperazin-1-yl)pyrazine-2-carboxylic acid
CID 64266583
3,5-Dithiomorpholin-4-ylpyrazine-2,6-dicarboxylic acid
CID 67369827

Frequently Asked Questions

What is the IUPAC name of 3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid?
The IUPAC name of 3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid (CID 24860790) is 3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid.
What is the SMILES notation for 3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid?
The canonical SMILES for 3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid is O=C(O)c1nc(N2CCNCC2)c(C(=O)O)nc1N1CCNCC1.
What is the InChIKey of 3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid?
The InChIKey is ZDUFZSSHMJIQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O4/c21-13(22)9-11(19-5-1-15-2-6-19)17-10(14(23)24)12(18-9)20-7-3-16-4-8-20/h15-16H,1-8H2,(H,21,22)(H,23,24).
What are the key properties of 3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid?
3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid has a molecular weight of 336.35 g/mol, XLogP of -1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid is sourced from PubChem (CID 24860790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).