6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine

C13H14N4S — CID 44723867

IUPAC6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine
SMILESCCCc1nnn2c1SCC(c1ccccc1)=N2
InChIInChI=1S/C13H14N4S/c1-2-6-11-13-17(16-14-11)15-12(9-18-13)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyKVLOPQMLAWDIQQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.59
Rot. Bonds3

About 6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine

6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine (PubChem CID 44723867) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine
PubChem CID44723867
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine
SMILESCCCc1nnn2c1SCC(c1ccccc1)=N2
InChIInChI=1S/C13H14N4S/c1-2-6-11-13-17(16-14-11)15-12(9-18-13)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyKVLOPQMLAWDIQQ-UHFFFAOYSA-N
XLogP2.59
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-phenyl-3-propyl-5H-triazolo[5,1-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

Related Compounds

6-(4-methoxyphenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide
CID 44723913
6-(4-nitrophenyl)-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine
CID 4624887
6-phenyl-2-propyl-7H-[1,2,4]triazolo[5,1-b][1,3,4]thiadiazine;hydrobromide
CID 44789579
azane;1-methyl-5-phenyl-4-propyltriazole
CID 174693231
3-phenyl-4-propyl-1,2,5-thiadiazole
CID 12689835
3-butyl-5-phenyl-6H-1,3,4-thiadiazin-2-imine;hydroiodide
CID 170909187
6-(4-ethylphenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 7295443
3-decyl-5-phenyl-6H-1,3,4-thiadiazin-2-imine
CID 170909194
6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 20895450
3-[2-(4-methoxyphenyl)ethyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 44513964
3-(4-methylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3515068
3-butyl-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 11507508

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine?
The IUPAC name of 6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine (CID 44723867) is 6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine?
The canonical SMILES for 6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine is CCCc1nnn2c1SCC(c1ccccc1)=N2.
What is the InChIKey of 6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine?
The InChIKey is KVLOPQMLAWDIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-6-11-13-17(16-14-11)15-12(9-18-13)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine?
6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine has a molecular weight of 258.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-propyl-5H-triazolo[5,1-b][1,3,4]thiadiazine is sourced from PubChem (CID 44723867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).