2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid

C7H6N4O2S — CID 12814068

IUPAC2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid
SMILESO=C(O)CSc1nncn2nccc12
InChIInChI=1S/C7H6N4O2S/c12-6(13)3-14-7-5-1-2-9-11(5)4-8-10-7/h1-2,4H,3H2,(H,12,13)
InChIKeyOBSSRHFWAUMPPH-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.30
Rot. Bonds3

About 2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid

2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid (PubChem CID 12814068) has the molecular formula C7H6N4O2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid.

Molecular Properties

Compound Name2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid
PubChem CID12814068
Molecular FormulaC7H6N4O2S
Molecular Weight210.22 g/mol
Exact Mass210.02
IUPAC Name2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid
SMILESO=C(O)CSc1nncn2nccc12
InChIInChI=1S/C7H6N4O2S/c12-6(13)3-14-7-5-1-2-9-11(5)4-8-10-7/h1-2,4H,3H2,(H,12,13)
InChIKeyOBSSRHFWAUMPPH-UHFFFAOYSA-N
XLogP0.30
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid?
The IUPAC name of 2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid (CID 12814068) is 2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid.
What is the SMILES notation for 2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid?
The canonical SMILES for 2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid is O=C(O)CSc1nncn2nccc12.
What is the InChIKey of 2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid?
The InChIKey is OBSSRHFWAUMPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S/c12-6(13)3-14-7-5-1-2-9-11(5)4-8-10-7/h1-2,4H,3H2,(H,12,13).
What are the key properties of 2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid?
2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid has a molecular weight of 210.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-d][1,2,4]triazin-4-ylsulfanylacetic acid is sourced from PubChem (CID 12814068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).