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

C12H17N5O2S — CID 61468893

IUPAC3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione
SMILESCn1c(N)nnc1SC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C12H17N5O2S/c1-16-11(13)14-15-12(16)20-8-6-9(18)17(10(8)19)7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyIMAJXAQKCGQXDJ-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.56
Rot. Bonds3

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

3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione (PubChem CID 61468893) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione
PubChem CID61468893
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione
SMILESCn1c(N)nnc1SC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C12H17N5O2S/c1-16-11(13)14-15-12(16)20-8-6-9(18)17(10(8)19)7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyIMAJXAQKCGQXDJ-UHFFFAOYSA-N
XLogP0.56
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione (CID 61468893) is 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione is Cn1c(N)nnc1SC1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione?
The InChIKey is IMAJXAQKCGQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-16-11(13)14-15-12(16)20-8-6-9(18)17(10(8)19)7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H2,13,14).
What are the key properties of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione?
3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione has a molecular weight of 295.37 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione is sourced from PubChem (CID 61468893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).