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

C15H20N4S — CID 61338362

IUPAC3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESNc1sc2c(c1-c1n[nH]c(C3CCCCC3)n1)CCC2
InChIInChI=1S/C15H20N4S/c16-13-12(10-7-4-8-11(10)20-13)15-17-14(18-19-15)9-5-2-1-3-6-9/h9H,1-8,16H2,(H,17,18,19)
InChIKeyJOPAAPJUJXXAPG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.65
Rot. Bonds2

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

3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 61338362) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID61338362
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESNc1sc2c(c1-c1n[nH]c(C3CCCCC3)n1)CCC2
InChIInChI=1S/C15H20N4S/c16-13-12(10-7-4-8-11(10)20-13)15-17-14(18-19-15)9-5-2-1-3-6-9/h9H,1-8,16H2,(H,17,18,19)
InChIKeyJOPAAPJUJXXAPG-UHFFFAOYSA-N
XLogP3.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-5-ethylthiophen-2-amine
CID 55247218
5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole
CID 55221848
3-(3-bromo-2-fluorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 107954589
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline
CID 61337782
5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole
CID 61336569
5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole
CID 63548842
2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 18207736
3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline
CID 63019648
5-cyclohexyl-3-(2,6-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336565
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
CID 63021841
3-(2-bromo-3-methylphenyl)-5-cyclohexyl-1H-1,2,4-triazole
CID 107982954
5-(thian-4-yl)-1H-1,2,4-triazol-3-amine
CID 115016759

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 61338362) is 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is Nc1sc2c(c1-c1n[nH]c(C3CCCCC3)n1)CCC2.
What is the InChIKey of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is JOPAAPJUJXXAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c16-13-12(10-7-4-8-11(10)20-13)15-17-14(18-19-15)9-5-2-1-3-6-9/h9H,1-8,16H2,(H,17,18,19).
What are the key properties of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 61338362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).