6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid

C8H6N4O2 — CID 82404241

IUPAC6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(-c2ccn[nH]2)n1
InChIInChI=1S/C8H6N4O2/c13-8(14)7-4-9-3-6(11-7)5-1-2-10-12-5/h1-4H,(H,10,12)(H,13,14)
InChIKeyRPSWYWZTFIXAOZ-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.56
Rot. Bonds2

About 6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid

6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid (PubChem CID 82404241) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid
PubChem CID82404241
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(-c2ccn[nH]2)n1
InChIInChI=1S/C8H6N4O2/c13-8(14)7-4-9-3-6(11-7)5-1-2-10-12-5/h1-4H,(H,10,12)(H,13,14)
InChIKeyRPSWYWZTFIXAOZ-UHFFFAOYSA-N
XLogP0.56
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid (CID 82404241) is 6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid is O=C(O)c1cncc(-c2ccn[nH]2)n1.
What is the InChIKey of 6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid?
The InChIKey is RPSWYWZTFIXAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-8(14)7-4-9-3-6(11-7)5-1-2-10-12-5/h1-4H,(H,10,12)(H,13,14).
What are the key properties of 6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid?
6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-5-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 82404241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).