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

C8H10N6O2S — CID 60809456

IUPAC3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cnccn2)c(N)n1
InChIInChI=1S/C8H10N6O2S/c1-14-5-6(8(9)12-14)17(15,16)13-7-4-10-2-3-11-7/h2-5H,1H3,(H2,9,12)(H,11,13)
InChIKeyORSJVCIXDLHDLJ-UHFFFAOYSA-N
MW254.28 g/mol
LogP-0.41
Rot. Bonds3

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

3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (PubChem CID 60809456) has the molecular formula C8H10N6O2S and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
PubChem CID60809456
Molecular FormulaC8H10N6O2S
Molecular Weight254.28 g/mol
Exact Mass254.06
IUPAC Name3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cnccn2)c(N)n1
InChIInChI=1S/C8H10N6O2S/c1-14-5-6(8(9)12-14)17(15,16)13-7-4-10-2-3-11-7/h2-5H,1H3,(H2,9,12)(H,11,13)
InChIKeyORSJVCIXDLHDLJ-UHFFFAOYSA-N
XLogP-0.41
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (CID 60809456) is 3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cnccn2)c(N)n1.
What is the InChIKey of 3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The InChIKey is ORSJVCIXDLHDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c1-14-5-6(8(9)12-14)17(15,16)13-7-4-10-2-3-11-7/h2-5H,1H3,(H2,9,12)(H,11,13).
What are the key properties of 3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide has a molecular weight of 254.28 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 60809456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).