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

C8H11N5O2S — CID 43638494

IUPAC3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Sc2n[nH]c(N)n2)C1=O
InChIInChI=1S/C8H11N5O2S/c1-2-13-5(14)3-4(6(13)15)16-8-10-7(9)11-12-8/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyFTHAZFZSRSPPDD-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.37
Rot. Bonds3

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

3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione (PubChem CID 43638494) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
PubChem CID43638494
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Sc2n[nH]c(N)n2)C1=O
InChIInChI=1S/C8H11N5O2S/c1-2-13-5(14)3-4(6(13)15)16-8-10-7(9)11-12-8/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyFTHAZFZSRSPPDD-UHFFFAOYSA-N
XLogP-0.37
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione (CID 43638494) is 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)CC(Sc2n[nH]c(N)n2)C1=O.
What is the InChIKey of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione?
The InChIKey is FTHAZFZSRSPPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-2-13-5(14)3-4(6(13)15)16-8-10-7(9)11-12-8/h4H,2-3H2,1H3,(H3,9,10,11,12).
What are the key properties of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione?
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione has a molecular weight of 241.28 g/mol, XLogP of -0.37, 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-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).