1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide

C7H10N6O2S — CID 19683372

IUPAC1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nn1cnnc1
InChIInChI=1S/C7H10N6O2S/c1-6-7(3-12(2)10-6)16(14,15)11-13-4-8-9-5-13/h3-5,11H,1-2H3
InChIKeyZXFPDBWWGRDRTI-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.75
Rot. Bonds3

About 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide (PubChem CID 19683372) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
PubChem CID19683372
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC Name1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nn1cnnc1
InChIInChI=1S/C7H10N6O2S/c1-6-7(3-12(2)10-6)16(14,15)11-13-4-8-9-5-13/h3-5,11H,1-2H3
InChIKeyZXFPDBWWGRDRTI-UHFFFAOYSA-N
XLogP-0.75
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-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 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide (CID 19683372) is 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nn1cnnc1.
What is the InChIKey of 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
The InChIKey is ZXFPDBWWGRDRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c1-6-7(3-12(2)10-6)16(14,15)11-13-4-8-9-5-13/h3-5,11H,1-2H3.
What are the key properties of 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19683372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).