2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine

C12H16N6O2S — CID 60960300

IUPAC2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H16N6O2S/c1-10-11(8-15-16-10)21(19,20)18-6-4-17(5-7-18)12-9-13-2-3-14-12/h2-3,8-9H,4-7H2,1H3,(H,15,16)
InChIKeyQICYIHNEOOGBSF-UHFFFAOYSA-N
MW308.37 g/mol
LogP0.02
Rot. Bonds3

About 2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine

2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine (PubChem CID 60960300) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine
PubChem CID60960300
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H16N6O2S/c1-10-11(8-15-16-10)21(19,20)18-6-4-17(5-7-18)12-9-13-2-3-14-12/h2-3,8-9H,4-7H2,1H3,(H,15,16)
InChIKeyQICYIHNEOOGBSF-UHFFFAOYSA-N
XLogP0.02
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine (CID 60960300) is 2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine is Cc1[nH]ncc1S(=O)(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine?
The InChIKey is QICYIHNEOOGBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-10-11(8-15-16-10)21(19,20)18-6-4-17(5-7-18)12-9-13-2-3-14-12/h2-3,8-9H,4-7H2,1H3,(H,15,16).
What are the key properties of 2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine?
2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine has a molecular weight of 308.37 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 60960300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).