4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione

C7H12N4S — CID 15519784

IUPAC4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione
SMILESNn1c(C2CCCC2)n[nH]c1=S
InChIInChI=1S/C7H12N4S/c8-11-6(9-10-7(11)12)5-3-1-2-4-5/h5H,1-4,8H2,(H,10,12)
InChIKeyDZBDCWKJNGVXIO-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.31
Rot. Bonds1

About 4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione

4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione (PubChem CID 15519784) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione
PubChem CID15519784
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione
SMILESNn1c(C2CCCC2)n[nH]c1=S
InChIInChI=1S/C7H12N4S/c8-11-6(9-10-7(11)12)5-3-1-2-4-5/h5H,1-4,8H2,(H,10,12)
InChIKeyDZBDCWKJNGVXIO-UHFFFAOYSA-N
XLogP1.31
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione (CID 15519784) is 4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione is Nn1c(C2CCCC2)n[nH]c1=S.
What is the InChIKey of 4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione?
The InChIKey is DZBDCWKJNGVXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c8-11-6(9-10-7(11)12)5-3-1-2-4-5/h5H,1-4,8H2,(H,10,12).
What are the key properties of 4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione?
4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione has a molecular weight of 184.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 15519784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).