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

C10H15N5O2S — CID 54954341

IUPAC3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Sc2nnc(N)n2C)C1=O
InChIInChI=1S/C10H15N5O2S/c1-3-4-15-7(16)5-6(8(15)17)18-10-13-12-9(11)14(10)2/h6H,3-5H2,1-2H3,(H2,11,12)
InChIKeyHJPKVEMGBIIHLU-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.03
Rot. Bonds4

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

3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione (PubChem CID 54954341) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione
PubChem CID54954341
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Sc2nnc(N)n2C)C1=O
InChIInChI=1S/C10H15N5O2S/c1-3-4-15-7(16)5-6(8(15)17)18-10-13-12-9(11)14(10)2/h6H,3-5H2,1-2H3,(H2,11,12)
InChIKeyHJPKVEMGBIIHLU-UHFFFAOYSA-N
XLogP0.03
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.03
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-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione (CID 54954341) is 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(Sc2nnc(N)n2C)C1=O.
What is the InChIKey of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione?
The InChIKey is HJPKVEMGBIIHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-3-4-15-7(16)5-6(8(15)17)18-10-13-12-9(11)14(10)2/h6H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione?
3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione has a molecular weight of 269.33 g/mol, XLogP of 0.03, 4 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-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 54954341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).