pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C15H20N6O3S — CID 110805442

IUPACpyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C15H20N6O3S/c1-11-14(12(2)19(3)18-11)25(23,24)21-8-6-20(7-9-21)15(22)13-10-16-4-5-17-13/h4-5,10H,6-9H2,1-3H3
InChIKeyBEPYKZPOYICUBC-UHFFFAOYSA-N
MW364.43 g/mol
LogP-0.03
Rot. Bonds3

About pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 110805442) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID110805442
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Namepyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C15H20N6O3S/c1-11-14(12(2)19(3)18-11)25(23,24)21-8-6-20(7-9-21)15(22)13-10-16-4-5-17-13/h4-5,10H,6-9H2,1-3H3
InChIKeyBEPYKZPOYICUBC-UHFFFAOYSA-N
XLogP-0.03
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 110805442) is pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is BEPYKZPOYICUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-11-14(12(2)19(3)18-11)25(23,24)21-8-6-20(7-9-21)15(22)13-10-16-4-5-17-13/h4-5,10H,6-9H2,1-3H3.
What are the key properties of pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 364.43 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 110805442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).