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

C6H7N5O2S — CID 43638488

IUPAC3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
SMILESNc1nc(SC2CC(=O)NC2=O)n[nH]1
InChIInChI=1S/C6H7N5O2S/c7-5-9-6(11-10-5)14-2-1-3(12)8-4(2)13/h2H,1H2,(H,8,12,13)(H3,7,9,10,11)
InChIKeyDRHIGCQGLIWZAV-UHFFFAOYSA-N
MW213.22 g/mol
LogP-1.11
Rot. Bonds2

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

3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione (PubChem CID 43638488) has the molecular formula C6H7N5O2S and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
PubChem CID43638488
Molecular FormulaC6H7N5O2S
Molecular Weight213.22 g/mol
Exact Mass213.03
IUPAC Name3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
SMILESNc1nc(SC2CC(=O)NC2=O)n[nH]1
InChIInChI=1S/C6H7N5O2S/c7-5-9-6(11-10-5)14-2-1-3(12)8-4(2)13/h2H,1H2,(H,8,12,13)(H3,7,9,10,11)
InChIKeyDRHIGCQGLIWZAV-UHFFFAOYSA-N
XLogP-1.11
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
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]pyrrolidine-2,5-dione with MolForge

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 11403005
1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one
CID 8010394
1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 38655126
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]-N-carbamoylpropanamide
CID 43213326
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
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CID 43638494
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione
CID 43638496
3-[(5-Amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 61468832

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione (CID 43638488) is 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione is Nc1nc(SC2CC(=O)NC2=O)n[nH]1.
What is the InChIKey of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione?
The InChIKey is DRHIGCQGLIWZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S/c7-5-9-6(11-10-5)14-2-1-3(12)8-4(2)13/h2H,1H2,(H,8,12,13)(H3,7,9,10,11).
What are the key properties of 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione?
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione has a molecular weight of 213.22 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 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]pyrrolidine-2,5-dione is sourced from PubChem (CID 43638488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).