3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C15H14N6S — CID 887538

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)CS3)n1
InChIInChI=1S/C15H14N6S/c1-10-8-11(2)20(18-10)14-16-17-15-21(14)19-13(9-22-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyKXZFAXRVIUAZFK-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.44
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 887538) has the molecular formula C15H14N6S and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID887538
Molecular FormulaC15H14N6S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)CS3)n1
InChIInChI=1S/C15H14N6S/c1-10-8-11(2)20(18-10)14-16-17-15-21(14)19-13(9-22-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyKXZFAXRVIUAZFK-UHFFFAOYSA-N
XLogP2.44
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 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-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 887538) is 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Cc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)CS3)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is KXZFAXRVIUAZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S/c1-10-8-11(2)20(18-10)14-16-17-15-21(14)19-13(9-22-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 310.39 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 887538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).