3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine

C13H14N6S — CID 114353127

IUPAC3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nn3c(-c4cccnc4)nnc3s2)C1
InChIInChI=1S/C13H14N6S/c14-10-4-3-8(6-10)12-18-19-11(16-17-13(19)20-12)9-2-1-5-15-7-9/h1-2,5,7-8,10H,3-4,6,14H2
InChIKeyFFQPNJWZVLAPFF-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.84
Rot. Bonds2

About 3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine

3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine (PubChem CID 114353127) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
PubChem CID114353127
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nn3c(-c4cccnc4)nnc3s2)C1
InChIInChI=1S/C13H14N6S/c14-10-4-3-8(6-10)12-18-19-11(16-17-13(19)20-12)9-2-1-5-15-7-9/h1-2,5,7-8,10H,3-4,6,14H2
InChIKeyFFQPNJWZVLAPFF-UHFFFAOYSA-N
XLogP1.84
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
CID 114353284
4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine
CID 114353068
[5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine
CID 114353168
6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353074
2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991433
3-pyridin-3-yl-6-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353146
5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine
CID 114353053
6-(4-chlorophenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 935976
6-(3,5-dichlorophenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45491583
3-methyl-1-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114353106
3,5-dimethyl-4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole
CID 71708446
4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
CID 114355736

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine?
The IUPAC name of 3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine (CID 114353127) is 3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine is NC1CCC(c2nn3c(-c4cccnc4)nnc3s2)C1.
What is the InChIKey of 3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine?
The InChIKey is FFQPNJWZVLAPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c14-10-4-3-8(6-10)12-18-19-11(16-17-13(19)20-12)9-2-1-5-15-7-9/h1-2,5,7-8,10H,3-4,6,14H2.
What are the key properties of 3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine?
3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine has a molecular weight of 286.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine is sourced from PubChem (CID 114353127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).