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

C4H8N4O2S — CID 59312797

IUPACN-ethyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCNS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C4H8N4O2S/c1-2-7-11(9,10)4-5-3-6-8-4/h3,7H,2H2,1H3,(H,5,6,8)
InChIKeyVBIFGLCXYUUQCQ-UHFFFAOYSA-N
MW176.20 g/mol
LogP-0.90
Rot. Bonds3

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

N-ethyl-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 59312797) has the molecular formula C4H8N4O2S and a molecular weight of 176.20 g/mol. Its IUPAC name is N-ethyl-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1H-1,2,4-triazole-5-sulfonamide
PubChem CID59312797
Molecular FormulaC4H8N4O2S
Molecular Weight176.20 g/mol
Exact Mass176.04
IUPAC NameN-ethyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCNS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C4H8N4O2S/c1-2-7-11(9,10)4-5-3-6-8-4/h3,7H,2H2,1H3,(H,5,6,8)
InChIKeyVBIFGLCXYUUQCQ-UHFFFAOYSA-N
XLogP-0.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1H-1,2,4-triazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of N-ethyl-1H-1,2,4-triazole-5-sulfonamide (CID 59312797) is N-ethyl-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for N-ethyl-1H-1,2,4-triazole-5-sulfonamide is CCNS(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is VBIFGLCXYUUQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S/c1-2-7-11(9,10)4-5-3-6-8-4/h3,7H,2H2,1H3,(H,5,6,8).
What are the key properties of N-ethyl-1H-1,2,4-triazole-5-sulfonamide?
N-ethyl-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 176.20 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 59312797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).