4-cyclopropyl-1,2,4-triazolidine-3,5-dione

C5H7N3O2 — CID 100941497

IUPAC4-cyclopropyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1C1CC1
InChIInChI=1S/C5H7N3O2/c9-4-6-7-5(10)8(4)3-1-2-3/h3H,1-2H2,(H,6,9)(H,7,10)
InChIKeyKWLIQFDTRCXEHC-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.80
Rot. Bonds1

About 4-cyclopropyl-1,2,4-triazolidine-3,5-dione

4-cyclopropyl-1,2,4-triazolidine-3,5-dione (PubChem CID 100941497) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-cyclopropyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-cyclopropyl-1,2,4-triazolidine-3,5-dione
PubChem CID100941497
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name4-cyclopropyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1C1CC1
InChIInChI=1S/C5H7N3O2/c9-4-6-7-5(10)8(4)3-1-2-3/h3H,1-2H2,(H,6,9)(H,7,10)
InChIKeyKWLIQFDTRCXEHC-UHFFFAOYSA-N
XLogP-0.80
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-1,2,4-triazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-cyclopropyl-1,2,4-triazolidine-3,5-dione (CID 100941497) is 4-cyclopropyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-cyclopropyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-cyclopropyl-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is KWLIQFDTRCXEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c9-4-6-7-5(10)8(4)3-1-2-3/h3H,1-2H2,(H,6,9)(H,7,10).
What are the key properties of 4-cyclopropyl-1,2,4-triazolidine-3,5-dione?
4-cyclopropyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 141.13 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 100941497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).