6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C11H9FN4S — CID 706807

IUPAC6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1nnc2n1N=C(c1ccc(F)cc1)CS2
InChIInChI=1S/C11H9FN4S/c1-7-13-14-11-16(7)15-10(6-17-11)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3
InChIKeyNLRRVVSMTCYRPX-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.08
Rot. Bonds1

About 6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 706807) has the molecular formula C11H9FN4S and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID706807
Molecular FormulaC11H9FN4S
Molecular Weight248.29 g/mol
Exact Mass248.05
IUPAC Name6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1nnc2n1N=C(c1ccc(F)cc1)CS2
InChIInChI=1S/C11H9FN4S/c1-7-13-14-11-16(7)15-10(6-17-11)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3
InChIKeyNLRRVVSMTCYRPX-UHFFFAOYSA-N
XLogP2.08
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-3-methyl-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 6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 706807) is 6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Cc1nnc2n1N=C(c1ccc(F)cc1)CS2.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is NLRRVVSMTCYRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4S/c1-7-13-14-11-16(7)15-10(6-17-11)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 248.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 706807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).