1-(2H-triazol-4-ylsulfonyl)piperazine

C6H11N5O2S — CID 175278597

IUPAC1-(2H-triazol-4-ylsulfonyl)piperazine
SMILESO=S(=O)(c1cn[nH]n1)N1CCNCC1
InChIInChI=1S/C6H11N5O2S/c12-14(13,6-5-8-10-9-6)11-3-1-7-2-4-11/h5,7H,1-4H2,(H,8,9,10)
InChIKeyCBHGTWQJDGWNFX-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.60
Rot. Bonds2

About 1-(2H-triazol-4-ylsulfonyl)piperazine

1-(2H-triazol-4-ylsulfonyl)piperazine (PubChem CID 175278597) has the molecular formula C6H11N5O2S and a molecular weight of 217.25 g/mol. Its IUPAC name is 1-(2H-triazol-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2H-triazol-4-ylsulfonyl)piperazine
PubChem CID175278597
Molecular FormulaC6H11N5O2S
Molecular Weight217.25 g/mol
Exact Mass217.06
IUPAC Name1-(2H-triazol-4-ylsulfonyl)piperazine
SMILESO=S(=O)(c1cn[nH]n1)N1CCNCC1
InChIInChI=1S/C6H11N5O2S/c12-14(13,6-5-8-10-9-6)11-3-1-7-2-4-11/h5,7H,1-4H2,(H,8,9,10)
InChIKeyCBHGTWQJDGWNFX-UHFFFAOYSA-N
XLogP-1.60
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazol-4-ylsulfonyl)piperazine?
The IUPAC name of 1-(2H-triazol-4-ylsulfonyl)piperazine (CID 175278597) is 1-(2H-triazol-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(2H-triazol-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-(2H-triazol-4-ylsulfonyl)piperazine is O=S(=O)(c1cn[nH]n1)N1CCNCC1.
What is the InChIKey of 1-(2H-triazol-4-ylsulfonyl)piperazine?
The InChIKey is CBHGTWQJDGWNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2S/c12-14(13,6-5-8-10-9-6)11-3-1-7-2-4-11/h5,7H,1-4H2,(H,8,9,10).
What are the key properties of 1-(2H-triazol-4-ylsulfonyl)piperazine?
1-(2H-triazol-4-ylsulfonyl)piperazine has a molecular weight of 217.25 g/mol, XLogP of -1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazol-4-ylsulfonyl)piperazine is sourced from PubChem (CID 175278597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).