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

C13H13FN4S — CID 20895450

IUPAC6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCCc1nnc2n1N=C(c1ccc(F)cc1)CS2
InChIInChI=1S/C13H13FN4S/c1-2-3-12-15-16-13-18(12)17-11(8-19-13)9-4-6-10(14)7-5-9/h4-7H,2-3,8H2,1H3
InChIKeyMGSLOLHFXLDCQI-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.73
Rot. Bonds3

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

6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 20895450) has the molecular formula C13H13FN4S and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID20895450
Molecular FormulaC13H13FN4S
Molecular Weight276.34 g/mol
Exact Mass276.08
IUPAC Name6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCCc1nnc2n1N=C(c1ccc(F)cc1)CS2
InChIInChI=1S/C13H13FN4S/c1-2-3-12-15-16-13-18(12)17-11(8-19-13)9-4-6-10(14)7-5-9/h4-7H,2-3,8H2,1H3
InChIKeyMGSLOLHFXLDCQI-UHFFFAOYSA-N
XLogP2.73
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 20895450) is 6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CCCc1nnc2n1N=C(c1ccc(F)cc1)CS2.
What is the InChIKey of 6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is MGSLOLHFXLDCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4S/c1-2-3-12-15-16-13-18(12)17-11(8-19-13)9-4-6-10(14)7-5-9/h4-7H,2-3,8H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 276.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 20895450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).