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

C12H9N7S — CID 114353204

IUPAC5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2nn3c(-c4ccccc4)nnc3s2)[nH]n1
InChIInChI=1S/C12H9N7S/c13-9-6-8(14-15-9)11-18-19-10(16-17-12(19)20-11)7-4-2-1-3-5-7/h1-6H,(H3,13,14,15)
InChIKeyBPLMNACHTUIQPC-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.83
Rot. Bonds2

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

5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine (PubChem CID 114353204) has the molecular formula C12H9N7S and a molecular weight of 283.32 g/mol. Its IUPAC name is 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
PubChem CID114353204
Molecular FormulaC12H9N7S
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Name5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2nn3c(-c4ccccc4)nnc3s2)[nH]n1
InChIInChI=1S/C12H9N7S/c13-9-6-8(14-15-9)11-18-19-10(16-17-12(19)20-11)7-4-2-1-3-5-7/h1-6H,(H3,13,14,15)
InChIKeyBPLMNACHTUIQPC-UHFFFAOYSA-N
XLogP1.83
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373904
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
5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
CID 114354017
4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine
CID 114353319
3-(3-methyl-4-nitrophenyl)-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373946
3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16765074
6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30374222
6-(2,4-dichlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929606
5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine
CID 114354956
6-(1,3-benzodioxol-5-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6620959
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

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-pyrazol-3-amine?
The IUPAC name of 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine (CID 114353204) is 5-(3-phenyl-[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-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine is Nc1cc(-c2nn3c(-c4ccccc4)nnc3s2)[nH]n1.
What is the InChIKey of 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine?
The InChIKey is BPLMNACHTUIQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7S/c13-9-6-8(14-15-9)11-18-19-10(16-17-12(19)20-11)7-4-2-1-3-5-7/h1-6H,(H3,13,14,15).
What are the key properties of 5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine?
5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine has a molecular weight of 283.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyrazol-3-amine is sourced from PubChem (CID 114353204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).