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

C11H7N7OS — CID 114353319

IUPAC4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C11H7N7OS/c12-8-7(16-19-17-8)10-15-18-9(13-14-11(18)20-10)6-4-2-1-3-5-6/h1-5H,(H2,12,17)
InChIKeyKANZKYFRFWLKIE-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.49
Rot. Bonds2

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

4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 114353319) has the molecular formula C11H7N7OS and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine
PubChem CID114353319
Molecular FormulaC11H7N7OS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C11H7N7OS/c12-8-7(16-19-17-8)10-15-18-9(13-14-11(18)20-10)6-4-2-1-3-5-6/h1-5H,(H2,12,17)
InChIKeyKANZKYFRFWLKIE-UHFFFAOYSA-N
XLogP1.49
TPSA108.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
CID 114353204
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
6-(1,3-benzodioxol-5-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6620959
6-(1-methylpyrazol-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51052963
4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 28907890
3-phenyl-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373904
3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16765074
6-(2,3-difluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42535571
6-[5-(4-chlorophenyl)furan-2-yl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4840957
6-(2,4-dichlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929606
1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
CID 114353230
cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 114353329

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine (CID 114353319) is 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nn2c(-c3ccccc3)nnc2s1.
What is the InChIKey of 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is KANZKYFRFWLKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N7OS/c12-8-7(16-19-17-8)10-15-18-9(13-14-11(18)20-10)6-4-2-1-3-5-6/h1-5H,(H2,12,17).
What are the key properties of 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine?
4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 285.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 114353319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).