2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid

C10H7N5O3S — CID 82555067

IUPAC2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2cccs2)nn2cnnc12
InChIInChI=1S/C10H7N5O3S/c16-7(17)4-14-9(18)8(6-2-1-3-19-6)13-15-5-11-12-10(14)15/h1-3,5H,4H2,(H,16,17)
InChIKeyVBVGNJXGFGSXSB-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.10
Rot. Bonds3

About 2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid

2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid (PubChem CID 82555067) has the molecular formula C10H7N5O3S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid
PubChem CID82555067
Molecular FormulaC10H7N5O3S
Molecular Weight277.26 g/mol
Exact Mass277.03
IUPAC Name2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2cccs2)nn2cnnc12
InChIInChI=1S/C10H7N5O3S/c16-7(17)4-14-9(18)8(6-2-1-3-19-6)13-15-5-11-12-10(14)15/h1-3,5H,4H2,(H,16,17)
InChIKeyVBVGNJXGFGSXSB-UHFFFAOYSA-N
XLogP0.10
TPSA102.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid?
The IUPAC name of 2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid (CID 82555067) is 2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid.
What is the SMILES notation for 2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid?
The canonical SMILES for 2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid is O=C(O)Cn1c(=O)c(-c2cccs2)nn2cnnc12.
What is the InChIKey of 2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid?
The InChIKey is VBVGNJXGFGSXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3S/c16-7(17)4-14-9(18)8(6-2-1-3-19-6)13-15-5-11-12-10(14)15/h1-3,5H,4H2,(H,16,17).
What are the key properties of 2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid?
2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid has a molecular weight of 277.26 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetic acid is sourced from PubChem (CID 82555067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).