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

C10H13N5O2S — CID 54954393

IUPAC3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione
SMILESCn1c(N)nnc1SC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C10H13N5O2S/c1-14-9(11)12-13-10(14)18-6-4-7(16)15(8(6)17)5-2-3-5/h5-6H,2-4H2,1H3,(H2,11,12)
InChIKeyVYWZPTOTYIKALY-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.22
Rot. Bonds3

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

3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione (PubChem CID 54954393) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione
PubChem CID54954393
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione
SMILESCn1c(N)nnc1SC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C10H13N5O2S/c1-14-9(11)12-13-10(14)18-6-4-7(16)15(8(6)17)5-2-3-5/h5-6H,2-4H2,1H3,(H2,11,12)
InChIKeyVYWZPTOTYIKALY-UHFFFAOYSA-N
XLogP-0.22
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one
CID 9378483
2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 18134147
1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 38655126
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-cyclopentylpyrrolidine-2,5-dione
CID 43638493
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-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43638500
2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 46688662

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione (CID 54954393) is 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione is Cn1c(N)nnc1SC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione?
The InChIKey is VYWZPTOTYIKALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-14-9(11)12-13-10(14)18-6-4-7(16)15(8(6)17)5-2-3-5/h5-6H,2-4H2,1H3,(H2,11,12).
What are the key properties of 3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione?
3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione has a molecular weight of 267.31 g/mol, XLogP of -0.22, 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-cyclopropylpyrrolidine-2,5-dione is sourced from PubChem (CID 54954393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).