3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C12H12N4O2S — CID 177307913

IUPAC3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1nn(C)cc1C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C12H12N4O2S/c1-8-9(7-16(2)14-8)12-13-10-5-3-4-6-11(10)19(17,18)15-12/h3-7H,1-2H3,(H,13,15)
InChIKeySUTGRVQHEPYDNX-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.29
Rot. Bonds1

About 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 177307913) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID177307913
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1nn(C)cc1C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C12H12N4O2S/c1-8-9(7-16(2)14-8)12-13-10-5-3-4-6-11(10)19(17,18)15-12/h3-7H,1-2H3,(H,13,15)
InChIKeySUTGRVQHEPYDNX-UHFFFAOYSA-N
XLogP1.29
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide 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 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 177307913) is 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1nn(C)cc1C1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is SUTGRVQHEPYDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-8-9(7-16(2)14-8)12-13-10-5-3-4-6-11(10)19(17,18)15-12/h3-7H,1-2H3,(H,13,15).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 276.32 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 177307913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).