3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

C12H16N4S — CID 61377236

IUPAC3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCCn1c(C)nnc1-c1c(N)sc2c1CCC2
InChIInChI=1S/C12H16N4S/c1-3-16-7(2)14-15-12(16)10-8-5-4-6-9(8)17-11(10)13/h3-6,13H2,1-2H3
InChIKeyILZVWRPCUNRRAB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.41
Rot. Bonds2

About 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 61377236) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID61377236
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCCn1c(C)nnc1-c1c(N)sc2c1CCC2
InChIInChI=1S/C12H16N4S/c1-3-16-7(2)14-15-12(16)10-8-5-4-6-9(8)17-11(10)13/h3-6,13H2,1-2H3
InChIKeyILZVWRPCUNRRAB-UHFFFAOYSA-N
XLogP2.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62696228
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 43145465
3-(2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 62696246
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62733376
3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366303
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62336006
3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 79817492
3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 45117633
3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 84766581
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 116806756
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 118158535
3-(furan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 82366390

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 61377236) is 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is CCn1c(C)nnc1-c1c(N)sc2c1CCC2.
What is the InChIKey of 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is ILZVWRPCUNRRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-16-7(2)14-15-12(16)10-8-5-4-6-9(8)17-11(10)13/h3-6,13H2,1-2H3.
What are the key properties of 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 61377236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).