3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

C13H12N4S — CID 43145465

IUPAC3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESNc1sc2c(c1-c1nnc3ccccn13)CCC2
InChIInChI=1S/C13H12N4S/c14-12-11(8-4-3-5-9(8)18-12)13-16-15-10-6-1-2-7-17(10)13/h1-2,6-7H,3-5,14H2
InChIKeyYURQNEDXZBWULB-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.53
Rot. Bonds1

About 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 43145465) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID43145465
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESNc1sc2c(c1-c1nnc3ccccn13)CCC2
InChIInChI=1S/C13H12N4S/c14-12-11(8-4-3-5-9(8)18-12)13-16-15-10-6-1-2-7-17(10)13/h1-2,6-7H,3-5,14H2
InChIKeyYURQNEDXZBWULB-UHFFFAOYSA-N
XLogP2.53
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine with MolForge

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Related Compounds

4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine
CID 24694789
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62733376
3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 61377236
3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 63724464
3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62696228
3-(furan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 82366390
3-(2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 62696246
3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 45117633
2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 54924253
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 65196649
5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine
CID 63154670
3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366303

Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 43145465) is 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is Nc1sc2c(c1-c1nnc3ccccn13)CCC2.
What is the InChIKey of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is YURQNEDXZBWULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-12-11(8-4-3-5-9(8)18-12)13-16-15-10-6-1-2-7-17(10)13/h1-2,6-7H,3-5,14H2.
What are the key properties of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 256.33 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 43145465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).