N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide

C5H8N4O2S — CID 3884828

IUPACN-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide
SMILESC=CCNS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C5H8N4O2S/c1-2-3-8-12(10,11)5-6-4-7-9-5/h2,4,8H,1,3H2,(H,6,7,9)
InChIKeyICZZYVBEUVFYMS-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.73
Rot. Bonds4

About N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide

N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 3884828) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound NameN-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide
PubChem CID3884828
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC NameN-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide
SMILESC=CCNS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C5H8N4O2S/c1-2-3-8-12(10,11)5-6-4-7-9-5/h2,4,8H,1,3H2,(H,6,7,9)
InChIKeyICZZYVBEUVFYMS-UHFFFAOYSA-N
XLogP-0.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-prop-2-enyl-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-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide (CID 3884828) is N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide is C=CCNS(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is ICZZYVBEUVFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c1-2-3-8-12(10,11)5-6-4-7-9-5/h2,4,8H,1,3H2,(H,6,7,9).
What are the key properties of N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide?
N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 188.21 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 3884828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).