2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid

C6H4N4O3S — CID 82554569

IUPAC2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid
SMILESO=C(O)Cc1nn2c(=O)cnnc2s1
InChIInChI=1S/C6H4N4O3S/c11-4-2-7-8-6-10(4)9-3(14-6)1-5(12)13/h2H,1H2,(H,12,13)
InChIKeyFJYQMUXJBDWZBF-UHFFFAOYSA-N
MW212.19 g/mol
LogP-0.83
Rot. Bonds2

About 2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid

2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid (PubChem CID 82554569) has the molecular formula C6H4N4O3S and a molecular weight of 212.19 g/mol. Its IUPAC name is 2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid
PubChem CID82554569
Molecular FormulaC6H4N4O3S
Molecular Weight212.19 g/mol
Exact Mass212.00
IUPAC Name2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid
SMILESO=C(O)Cc1nn2c(=O)cnnc2s1
InChIInChI=1S/C6H4N4O3S/c11-4-2-7-8-6-10(4)9-3(14-6)1-5(12)13/h2H,1H2,(H,12,13)
InChIKeyFJYQMUXJBDWZBF-UHFFFAOYSA-N
XLogP-0.83
TPSA97.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid?
The IUPAC name of 2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid (CID 82554569) is 2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid is O=C(O)Cc1nn2c(=O)cnnc2s1.
What is the InChIKey of 2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid?
The InChIKey is FJYQMUXJBDWZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O3S/c11-4-2-7-8-6-10(4)9-3(14-6)1-5(12)13/h2H,1H2,(H,12,13).
What are the key properties of 2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid?
2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid has a molecular weight of 212.19 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)acetic acid is sourced from PubChem (CID 82554569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).