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

C12H16N4S — CID 62696228

IUPAC3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCC(C)n1cnnc1-c1c(N)sc2c1CCC2
InChIInChI=1S/C12H16N4S/c1-7(2)16-6-14-15-12(16)10-8-4-3-5-9(8)17-11(10)13/h6-7H,3-5,13H2,1-2H3
InChIKeyZOPWTPVOKVKATA-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.66
Rot. Bonds2

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

3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 62696228) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID62696228
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCC(C)n1cnnc1-c1c(N)sc2c1CCC2
InChIInChI=1S/C12H16N4S/c1-7(2)16-6-14-15-12(16)10-8-4-3-5-9(8)17-11(10)13/h6-7H,3-5,13H2,1-2H3
InChIKeyZOPWTPVOKVKATA-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 62696228) is 3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is CC(C)n1cnnc1-c1c(N)sc2c1CCC2.
What is the InChIKey of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is ZOPWTPVOKVKATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-7(2)16-6-14-15-12(16)10-8-4-3-5-9(8)17-11(10)13/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-(4-propan-2-yl-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 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 62696228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).