7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

C10H8N6OS — CID 82554680

IUPAC7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESNc1nn2c(=O)c(-c3ccccc3N)nnc2s1
InChIInChI=1S/C10H8N6OS/c11-6-4-2-1-3-5(6)7-8(17)16-10(14-13-7)18-9(12)15-16/h1-4H,11H2,(H2,12,15)
InChIKeyLBBFUOCOYTZBTM-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.38
Rot. Bonds1

About 7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 82554680) has the molecular formula C10H8N6OS and a molecular weight of 260.28 g/mol. Its IUPAC name is 7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID82554680
Molecular FormulaC10H8N6OS
Molecular Weight260.28 g/mol
Exact Mass260.05
IUPAC Name7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESNc1nn2c(=O)c(-c3ccccc3N)nnc2s1
InChIInChI=1S/C10H8N6OS/c11-6-4-2-1-3-5(6)7-8(17)16-10(14-13-7)18-9(12)15-16/h1-4H,11H2,(H2,12,15)
InChIKeyLBBFUOCOYTZBTM-UHFFFAOYSA-N
XLogP0.38
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-{2-[3-(allylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135406746
N-{2-[5-hydroxy-3-(methylsulfanyl)-1,2,4-triazin-6-yl]phenyl}butanamide
CID 135427605
6-(2-Aminophenyl)-3-(propylthio)-1,2,4-triazin-5(4H)-one
CID 135449242
N-{2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135428287
6-(2-Aminophenyl)-3-[(4-methylbenzyl)thio]-1,2,4-triazin-5-ol
CID 135431162
N-{2-[3-(ethylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}acetamide
CID 135467358
6-(2-aminophenyl)-3-(ethylthio)-1,2,4-triazin-5(4H)-one
CID 135470833
6-(2-Aminophenyl)-3-(heptylthio)-1,2,4-triazin-5-ol
CID 135472747
6-(2-aminophenyl)-3-(pentylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135478952
N-{2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}butanamide
CID 135425360
6-(2-Aminophenyl)-3-(butylsulfanyl)-1,2,4-triazin-5-ol
CID 135449260
6-(2-aminophenyl)-3-methyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 762675

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 82554680) is 7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is Nc1nn2c(=O)c(-c3ccccc3N)nnc2s1.
What is the InChIKey of 7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is LBBFUOCOYTZBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6OS/c11-6-4-2-1-3-5(6)7-8(17)16-10(14-13-7)18-9(12)15-16/h1-4H,11H2,(H2,12,15).
What are the key properties of 7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 260.28 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(2-aminophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 82554680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).