2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid

C9H8N4O2S — CID 95916168

IUPAC2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nccnc1-n1cccn1
InChIInChI=1S/C9H8N4O2S/c14-7(15)6-16-9-8(10-3-4-11-9)13-5-1-2-12-13/h1-5H,6H2,(H,14,15)
InChIKeyPZZIUUATAKAABJ-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.84
Rot. Bonds4

About 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid

2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid (PubChem CID 95916168) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid
PubChem CID95916168
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nccnc1-n1cccn1
InChIInChI=1S/C9H8N4O2S/c14-7(15)6-16-9-8(10-3-4-11-9)13-5-1-2-12-13/h1-5H,6H2,(H,14,15)
InChIKeyPZZIUUATAKAABJ-UHFFFAOYSA-N
XLogP0.84
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid (CID 95916168) is 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid is O=C(O)CSc1nccnc1-n1cccn1.
What is the InChIKey of 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid?
The InChIKey is PZZIUUATAKAABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c14-7(15)6-16-9-8(10-3-4-11-9)13-5-1-2-12-13/h1-5H,6H2,(H,14,15).
What are the key properties of 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid?
2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid has a molecular weight of 236.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 95916168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).