3,6-diaminopyrazine-2,5-dicarboxylic acid

C6H6N4O4 — CID 11127226

IUPAC3,6-diaminopyrazine-2,5-dicarboxylic acid
SMILESNc1nc(C(=O)O)c(N)nc1C(=O)O
InChIInChI=1S/C6H6N4O4/c7-3-1(5(11)12)9-4(8)2(10-3)6(13)14/h(H2,8,9)(H2,7,10)(H,11,12)(H,13,14)
InChIKeyVELGYJCKWFALBF-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.96
Rot. Bonds2

About 3,6-diaminopyrazine-2,5-dicarboxylic acid

3,6-diaminopyrazine-2,5-dicarboxylic acid (PubChem CID 11127226) has the molecular formula C6H6N4O4 and a molecular weight of 198.14 g/mol. Its IUPAC name is 3,6-diaminopyrazine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,6-diaminopyrazine-2,5-dicarboxylic acid
PubChem CID11127226
Molecular FormulaC6H6N4O4
Molecular Weight198.14 g/mol
Exact Mass198.04
IUPAC Name3,6-diaminopyrazine-2,5-dicarboxylic acid
SMILESNc1nc(C(=O)O)c(N)nc1C(=O)O
InChIInChI=1S/C6H6N4O4/c7-3-1(5(11)12)9-4(8)2(10-3)6(13)14/h(H2,8,9)(H2,7,10)(H,11,12)(H,13,14)
InChIKeyVELGYJCKWFALBF-UHFFFAOYSA-N
XLogP-0.96
TPSA152.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-5,6-dichloropyrazine-2-carboxylic acid
CID 343271
3,5-Diamino-6-chloro-pyrazine acid
CID 6452119
3-Amino-5,6-dimethylpyrazine-2-carboxylic acid
CID 222764
3-Amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylic acid
CID 58442311
Guanidine, (((3,5-diamino-6-chloropyrazinyl)carbonyl)oxy)-
CID 153329
3,5-Diamino-6-fluoropyrazine-2-carboxylic acid
CID 20355855
(Diaminomethylideneamino) 3,5-diamino-6-fluoropyrazine-2-carboxylate
CID 21328415
3-Amino-6-bromo-5-trifluoromethyl-pyrazine-2-carboxylic acid
CID 58442296
3-Amino-6-chloro-5-trifluoromethyl-pyrazine-2-carboxylic acid
CID 89443262
3-Amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443770
3-Amino-5,6-dibromopyrazine-2-carboxylic acid
CID 312647
3,6-Bis(dimethylamino)pyrazine-2,5-dicarboxylic acid
CID 11644546

Frequently Asked Questions

What is the IUPAC name of 3,6-diaminopyrazine-2,5-dicarboxylic acid?
The IUPAC name of 3,6-diaminopyrazine-2,5-dicarboxylic acid (CID 11127226) is 3,6-diaminopyrazine-2,5-dicarboxylic acid.
What is the SMILES notation for 3,6-diaminopyrazine-2,5-dicarboxylic acid?
The canonical SMILES for 3,6-diaminopyrazine-2,5-dicarboxylic acid is Nc1nc(C(=O)O)c(N)nc1C(=O)O.
What is the InChIKey of 3,6-diaminopyrazine-2,5-dicarboxylic acid?
The InChIKey is VELGYJCKWFALBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O4/c7-3-1(5(11)12)9-4(8)2(10-3)6(13)14/h(H2,8,9)(H2,7,10)(H,11,12)(H,13,14).
What are the key properties of 3,6-diaminopyrazine-2,5-dicarboxylic acid?
3,6-diaminopyrazine-2,5-dicarboxylic acid has a molecular weight of 198.14 g/mol, XLogP of -0.96, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diaminopyrazine-2,5-dicarboxylic acid is sourced from PubChem (CID 11127226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).