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

C7H10N6O2S — CID 43243402

IUPAC3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione
SMILESNc1nc(SCCN2C(=O)CNC2=O)n[nH]1
InChIInChI=1S/C7H10N6O2S/c8-5-10-6(12-11-5)16-2-1-13-4(14)3-9-7(13)15/h1-3H2,(H,9,15)(H3,8,10,11,12)
InChIKeyXTFKBKARDUPCDG-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.97
Rot. Bonds4

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

3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione (PubChem CID 43243402) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione
PubChem CID43243402
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC Name3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione
SMILESNc1nc(SCCN2C(=O)CNC2=O)n[nH]1
InChIInChI=1S/C7H10N6O2S/c8-5-10-6(12-11-5)16-2-1-13-4(14)3-9-7(13)15/h1-3H2,(H,9,15)(H3,8,10,11,12)
InChIKeyXTFKBKARDUPCDG-UHFFFAOYSA-N
XLogP-0.97
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione (CID 43243402) is 3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione is Nc1nc(SCCN2C(=O)CNC2=O)n[nH]1.
What is the InChIKey of 3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione?
The InChIKey is XTFKBKARDUPCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c8-5-10-6(12-11-5)16-2-1-13-4(14)3-9-7(13)15/h1-3H2,(H,9,15)(H3,8,10,11,12).
What are the key properties of 3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione?
3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione has a molecular weight of 242.26 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 43243402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).