3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione

C11H15N5O2S — CID 43638493

IUPAC3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione
SMILESNc1nc(SC2CC(=O)N(C3CCCC3)C2=O)n[nH]1
InChIInChI=1S/C11H15N5O2S/c12-10-13-11(15-14-10)19-7-5-8(17)16(9(7)18)6-3-1-2-4-6/h6-7H,1-5H2,(H3,12,13,14,15)
InChIKeyIGZFEFLXUUNAHV-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.55
Rot. Bonds3

About 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione

3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione (PubChem CID 43638493) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione
PubChem CID43638493
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione
SMILESNc1nc(SC2CC(=O)N(C3CCCC3)C2=O)n[nH]1
InChIInChI=1S/C11H15N5O2S/c12-10-13-11(15-14-10)19-7-5-8(17)16(9(7)18)6-3-1-2-4-6/h6-7H,1-5H2,(H3,12,13,14,15)
InChIKeyIGZFEFLXUUNAHV-UHFFFAOYSA-N
XLogP0.55
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione with MolForge

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Related Compounds

(2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7704584
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7704585
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 7704814
1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one
CID 8010394
1-cyclohexyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione
CID 23936428
1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 38655126
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 43212638
N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 43212653
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione
CID 43638489
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione
CID 43638490
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 43638491
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione
CID 43638492

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione (CID 43638493) is 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione is Nc1nc(SC2CC(=O)N(C3CCCC3)C2=O)n[nH]1.
What is the InChIKey of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione?
The InChIKey is IGZFEFLXUUNAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c12-10-13-11(15-14-10)19-7-5-8(17)16(9(7)18)6-3-1-2-4-6/h6-7H,1-5H2,(H3,12,13,14,15).
What are the key properties of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione?
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione has a molecular weight of 281.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).