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

C10H12N8S — CID 114355459

IUPAC5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nn3c(C4CCCC4)nnc3s2)n1
InChIInChI=1S/C10H12N8S/c11-9-12-6(13-15-9)8-17-18-7(5-3-1-2-4-5)14-16-10(18)19-8/h5H,1-4H2,(H3,11,12,13,15)
InChIKeyVKRUYOHOJJJJCL-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.21
Rot. Bonds2

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

5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 114355459) has the molecular formula C10H12N8S and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-(3-cyclopentyl-[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-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine
PubChem CID114355459
Molecular FormulaC10H12N8S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nn3c(C4CCCC4)nnc3s2)n1
InChIInChI=1S/C10H12N8S/c11-9-12-6(13-15-9)8-17-18-7(5-3-1-2-4-5)14-16-10(18)19-8/h5H,1-4H2,(H3,11,12,13,15)
InChIKeyVKRUYOHOJJJJCL-UHFFFAOYSA-N
XLogP1.21
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzene-1,3-diamine
CID 107811571
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
3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine
CID 114355525
3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine
CID 114353641
3-cyclobutyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71709141
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-fluoroaniline
CID 114355547
4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylaniline
CID 114355453
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-6-methylaniline
CID 114355578
3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16765769
3,6-dichloro-2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 107050348
2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylaniline
CID 114355737

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyl-[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-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine (CID 114355459) is 5-(3-cyclopentyl-[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-cyclopentyl-[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-cyclopentyl-[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(C4CCCC4)nnc3s2)n1.
What is the InChIKey of 5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is VKRUYOHOJJJJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8S/c11-9-12-6(13-15-9)8-17-18-7(5-3-1-2-4-5)14-16-10(18)19-8/h5H,1-4H2,(H3,11,12,13,15).
What are the key properties of 5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine?
5-(3-cyclopentyl-[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 276.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyl-[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 114355459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).