2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid

C7H8N4O3 — CID 64575478

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C7H8N4O3/c12-6(7(13)14)10-1-2-11-4-8-9-5(11)3-10/h4H,1-3H2,(H,13,14)
InChIKeyGRXZTCGGFZSQMI-UHFFFAOYSA-N
MW196.17 g/mol
LogP-1.30
Rot. Bonds

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid (PubChem CID 64575478) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid
PubChem CID64575478
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C7H8N4O3/c12-6(7(13)14)10-1-2-11-4-8-9-5(11)3-10/h4H,1-3H2,(H,13,14)
InChIKeyGRXZTCGGFZSQMI-UHFFFAOYSA-N
XLogP-1.30
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid (CID 64575478) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid is O=C(O)C(=O)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid?
The InChIKey is GRXZTCGGFZSQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c12-6(7(13)14)10-1-2-11-4-8-9-5(11)3-10/h4H,1-3H2,(H,13,14).
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid has a molecular weight of 196.17 g/mol, XLogP of -1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoacetic acid is sourced from PubChem (CID 64575478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).