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

C10H19N5O2S — CID 175278543

IUPAC1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine
SMILESCC(C)CN1CCN(S(=O)(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C10H19N5O2S/c1-9(2)8-14-3-5-15(6-4-14)18(16,17)10-7-11-13-12-10/h7,9H,3-6,8H2,1-2H3,(H,11,12,13)
InChIKeyNMYBJSBSRDYTOT-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.23
Rot. Bonds4

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

1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine (PubChem CID 175278543) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine
PubChem CID175278543
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine
SMILESCC(C)CN1CCN(S(=O)(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C10H19N5O2S/c1-9(2)8-14-3-5-15(6-4-14)18(16,17)10-7-11-13-12-10/h7,9H,3-6,8H2,1-2H3,(H,11,12,13)
InChIKeyNMYBJSBSRDYTOT-UHFFFAOYSA-N
XLogP-0.23
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine (CID 175278543) is 1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine is CC(C)CN1CCN(S(=O)(=O)c2cn[nH]n2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine?
The InChIKey is NMYBJSBSRDYTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-9(2)8-14-3-5-15(6-4-14)18(16,17)10-7-11-13-12-10/h7,9H,3-6,8H2,1-2H3,(H,11,12,13).
What are the key properties of 1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine?
1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine has a molecular weight of 273.36 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(2H-triazol-4-ylsulfonyl)piperazine is sourced from PubChem (CID 175278543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).