5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine

C11H8N8S — CID 114353194

IUPAC5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nn3c(-c4ccccc4)nnc3s2)n1
InChIInChI=1S/C11H8N8S/c12-10-13-7(14-16-10)9-18-19-8(15-17-11(19)20-9)6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,16)
InChIKeyJBIMOVRLNANKHL-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.22
Rot. Bonds2

About 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine

5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 114353194) has the molecular formula C11H8N8S and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine
PubChem CID114353194
Molecular FormulaC11H8N8S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nn3c(-c4ccccc4)nnc3s2)n1
InChIInChI=1S/C11H8N8S/c12-10-13-7(14-16-10)9-18-19-8(15-17-11(19)20-9)6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,16)
InChIKeyJBIMOVRLNANKHL-UHFFFAOYSA-N
XLogP1.22
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine 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

5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
CID 114353204
3-phenyl-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373904
5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine
CID 114355459
3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16765074
4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine
CID 114353319
5-phenyl-1H-1,2,4-triazol-3-amine
CID 139075773
5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-1,2,4-triazol-3-amine
CID 114354942
6-(2,3-difluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42535571
6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51052963
6-(3-tert-butyl-1-methylpyrazol-5-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51043338
6-(2,4-dichlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929606
6-(1,3-benzodioxol-5-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6620959

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine (CID 114353194) is 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nn3c(-c4ccccc4)nnc3s2)n1.
What is the InChIKey of 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is JBIMOVRLNANKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N8S/c12-10-13-7(14-16-10)9-18-19-8(15-17-11(19)20-9)6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,16).
What are the key properties of 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine?
5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 284.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 114353194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).