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

C11H9N5OS — CID 15375329

IUPAC7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1nnc2sc(-c3ccc(N)cc3)nn2c1=O
InChIInChI=1S/C11H9N5OS/c1-6-10(17)16-11(14-13-6)18-9(15-16)7-2-4-8(12)5-3-7/h2-5H,12H2,1H3
InChIKeyUHCSBRYHFPRRAU-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.10
Rot. Bonds1

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

7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 15375329) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID15375329
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1nnc2sc(-c3ccc(N)cc3)nn2c1=O
InChIInChI=1S/C11H9N5OS/c1-6-10(17)16-11(14-13-6)18-9(15-16)7-2-4-8(12)5-3-7/h2-5H,12H2,1H3
InChIKeyUHCSBRYHFPRRAU-UHFFFAOYSA-N
XLogP1.10
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 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 7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 15375329) is 7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is Cc1nnc2sc(-c3ccc(N)cc3)nn2c1=O.
What is the InChIKey of 7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is UHCSBRYHFPRRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c1-6-10(17)16-11(14-13-6)18-9(15-16)7-2-4-8(12)5-3-7/h2-5H,12H2,1H3.
What are the key properties of 7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 259.29 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminophenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 15375329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).