6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid

C7H8N4O4 — CID 18406883

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid
SMILESO=C(O)c1nc2n(n1)CCN(C(=O)O)C2
InChIInChI=1S/C7H8N4O4/c12-6(13)5-8-4-3-10(7(14)15)1-2-11(4)9-5/h1-3H2,(H,12,13)(H,14,15)
InChIKeyUVSJZYZOKPKFJL-UHFFFAOYSA-N
MW212.16 g/mol
LogP-0.53
Rot. Bonds1

About 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid

6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid (PubChem CID 18406883) has the molecular formula C7H8N4O4 and a molecular weight of 212.16 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid
PubChem CID18406883
Molecular FormulaC7H8N4O4
Molecular Weight212.16 g/mol
Exact Mass212.05
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid
SMILESO=C(O)c1nc2n(n1)CCN(C(=O)O)C2
InChIInChI=1S/C7H8N4O4/c12-6(13)5-8-4-3-10(7(14)15)1-2-11(4)9-5/h1-3H2,(H,12,13)(H,14,15)
InChIKeyUVSJZYZOKPKFJL-UHFFFAOYSA-N
XLogP-0.53
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid (CID 18406883) is 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid is O=C(O)c1nc2n(n1)CCN(C(=O)O)C2.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid?
The InChIKey is UVSJZYZOKPKFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O4/c12-6(13)5-8-4-3-10(7(14)15)1-2-11(4)9-5/h1-3H2,(H,12,13)(H,14,15).
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid?
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid has a molecular weight of 212.16 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2,7-dicarboxylic acid is sourced from PubChem (CID 18406883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).