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

C5H9N3O2 — CID 11651171

IUPAC4-propyl-1,2,4-triazolidine-3,5-dione
SMILESCCCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C5H9N3O2/c1-2-3-8-4(9)6-7-5(8)10/h2-3H2,1H3,(H,6,9)(H,7,10)
InChIKeyJWEZTWSDZQJZQD-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.73
Rot. Bonds2

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

4-propyl-1,2,4-triazolidine-3,5-dione (PubChem CID 11651171) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 4-propyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-propyl-1,2,4-triazolidine-3,5-dione
PubChem CID11651171
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name4-propyl-1,2,4-triazolidine-3,5-dione
SMILESCCCn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C5H9N3O2/c1-2-3-8-4(9)6-7-5(8)10/h2-3H2,1H3,(H,6,9)(H,7,10)
InChIKeyJWEZTWSDZQJZQD-UHFFFAOYSA-N
XLogP-0.73
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-propyl-1,2,4-triazolidine-3,5-dione (CID 11651171) is 4-propyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-propyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-propyl-1,2,4-triazolidine-3,5-dione is CCCn1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-propyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is JWEZTWSDZQJZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-2-3-8-4(9)6-7-5(8)10/h2-3H2,1H3,(H,6,9)(H,7,10).
What are the key properties of 4-propyl-1,2,4-triazolidine-3,5-dione?
4-propyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 143.15 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 11651171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).