N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide

C8H16N4O2S — CID 21324403

IUPACN-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C8H16N4O2S/c1-3-5-6-12(4-2)15(13,14)8-9-7-10-11-8/h7H,3-6H2,1-2H3,(H,9,10,11)
InChIKeyGUSHQPFKBUZGPP-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.62
Rot. Bonds6

About N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide

N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 21324403) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide
PubChem CID21324403
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C8H16N4O2S/c1-3-5-6-12(4-2)15(13,14)8-9-7-10-11-8/h7H,3-6H2,1-2H3,(H,9,10,11)
InChIKeyGUSHQPFKBUZGPP-UHFFFAOYSA-N
XLogP0.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide (CID 21324403) is N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide is CCCCN(CC)S(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is GUSHQPFKBUZGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-3-5-6-12(4-2)15(13,14)8-9-7-10-11-8/h7H,3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 21324403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).