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

C8H9N7S — CID 114354017

IUPAC5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
SMILESCCc1nnc2sc(-c3cc(N)n[nH]3)nn12
InChIInChI=1S/C8H9N7S/c1-2-6-12-13-8-15(6)14-7(16-8)4-3-5(9)11-10-4/h3H,2H2,1H3,(H3,9,10,11)
InChIKeyGWBCCLXYMOVKKN-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.72
Rot. Bonds2

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

5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine (PubChem CID 114354017) has the molecular formula C8H9N7S and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
PubChem CID114354017
Molecular FormulaC8H9N7S
Molecular Weight235.28 g/mol
Exact Mass235.06
IUPAC Name5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
SMILESCCc1nnc2sc(-c3cc(N)n[nH]3)nn12
InChIInChI=1S/C8H9N7S/c1-2-6-12-13-8-15(6)14-7(16-8)4-3-5(9)11-10-4/h3H,2H2,1H3,(H3,9,10,11)
InChIKeyGWBCCLXYMOVKKN-UHFFFAOYSA-N
XLogP0.72
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-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

3-ethyl-6-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373282
5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
CID 114353204
4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 952391
5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine
CID 114354956
3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2992190
6-(3,4-dichlorophenyl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11840527
6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine
CID 114354076
2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991481
[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CID 82048318
3-ethyl-6-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 50849965
6-(2-bromophenyl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2991694
5-bromo-2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136983529

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine (CID 114354017) is 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine is CCc1nnc2sc(-c3cc(N)n[nH]3)nn12.
What is the InChIKey of 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine?
The InChIKey is GWBCCLXYMOVKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7S/c1-2-6-12-13-8-15(6)14-7(16-8)4-3-5(9)11-10-4/h3H,2H2,1H3,(H3,9,10,11).
What are the key properties of 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine?
5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine has a molecular weight of 235.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114354017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).