3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide

C9H12N6O2S — CID 60809457

IUPAC3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnccn2)c(N)n1
InChIInChI=1S/C9H12N6O2S/c1-2-15-6-7(9(10)13-15)18(16,17)14-8-5-11-3-4-12-8/h3-6H,2H2,1H3,(H2,10,13)(H,12,14)
InChIKeyJDLOQEXYJYFVRP-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.08
Rot. Bonds4

About 3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide

3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (PubChem CID 60809457) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
PubChem CID60809457
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnccn2)c(N)n1
InChIInChI=1S/C9H12N6O2S/c1-2-15-6-7(9(10)13-15)18(16,17)14-8-5-11-3-4-12-8/h3-6H,2H2,1H3,(H2,10,13)(H,12,14)
InChIKeyJDLOQEXYJYFVRP-UHFFFAOYSA-N
XLogP0.08
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (CID 60809457) is 3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cnccn2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The InChIKey is JDLOQEXYJYFVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-2-15-6-7(9(10)13-15)18(16,17)14-8-5-11-3-4-12-8/h3-6H,2H2,1H3,(H2,10,13)(H,12,14).
What are the key properties of 3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 60809457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).