4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione

C5H8N4O2 — CID 107409987

IUPAC4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione
SMILESNC1CC1n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C5H8N4O2/c6-2-1-3(2)9-4(10)7-8-5(9)11/h2-3H,1,6H2,(H,7,10)(H,8,11)
InChIKeyPSDMXYOSKKZQBO-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.86
Rot. Bonds1

About 4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione

4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 107409987) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione
PubChem CID107409987
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione
SMILESNC1CC1n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C5H8N4O2/c6-2-1-3(2)9-4(10)7-8-5(9)11/h2-3H,1,6H2,(H,7,10)(H,8,11)
InChIKeyPSDMXYOSKKZQBO-UHFFFAOYSA-N
XLogP-1.86
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione (CID 107409987) is 4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione is NC1CC1n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is PSDMXYOSKKZQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-2-1-3(2)9-4(10)7-8-5(9)11/h2-3H,1,6H2,(H,7,10)(H,8,11).
What are the key properties of 4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione?
4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 156.14 g/mol, XLogP of -1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopropyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).