3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

C10H6N4OS — CID 13070933

IUPAC3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccccc2)nnc2scnn12
InChIInChI=1S/C10H6N4OS/c15-9-8(7-4-2-1-3-5-7)12-13-10-14(9)11-6-16-10/h1-6H
InChIKeyFHAOZFMDVMHOSY-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.21
Rot. Bonds1

About 3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 13070933) has the molecular formula C10H6N4OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID13070933
Molecular FormulaC10H6N4OS
Molecular Weight230.25 g/mol
Exact Mass230.03
IUPAC Name3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccccc2)nnc2scnn12
InChIInChI=1S/C10H6N4OS/c15-9-8(7-4-2-1-3-5-7)12-13-10-14(9)11-6-16-10/h1-6H
InChIKeyFHAOZFMDVMHOSY-UHFFFAOYSA-N
XLogP1.21
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 976285
3-(Methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one
CID 135450607
3-benzyl-7-(methylthio)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 2825642
6-Phenyl-2,3-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 13169728
4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one
CID 560485
7-Methylsulfanyl-3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 45106417
7-(3-fluorophenyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 8035455
Bay-79758
CID 12295785
4-Amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one
CID 13458086
6-(4-Fluorophenyl)-3-methylsulfanyl-4-piperidin-1-yl-1,2,4-triazin-5-one
CID 53991380
6-(4-Fluorophenyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one
CID 135604596
2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
CID 560500

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 13070933) is 3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is O=c1c(-c2ccccc2)nnc2scnn12.
What is the InChIKey of 3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is FHAOZFMDVMHOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS/c15-9-8(7-4-2-1-3-5-7)12-13-10-14(9)11-6-16-10/h1-6H.
What are the key properties of 3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 230.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 13070933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).