4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione

C6H10N4O2 — CID 107410005

IUPAC4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1C1CCNC1
InChIInChI=1S/C6H10N4O2/c11-5-8-9-6(12)10(5)4-1-2-7-3-4/h4,7H,1-3H2,(H,8,11)(H,9,12)
InChIKeyPDUJVJUSUQVIDI-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.60
Rot. Bonds1

About 4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione

4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione (PubChem CID 107410005) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione
PubChem CID107410005
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1C1CCNC1
InChIInChI=1S/C6H10N4O2/c11-5-8-9-6(12)10(5)4-1-2-7-3-4/h4,7H,1-3H2,(H,8,11)(H,9,12)
InChIKeyPDUJVJUSUQVIDI-UHFFFAOYSA-N
XLogP-1.60
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione (CID 107410005) is 4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1C1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione?
The InChIKey is PDUJVJUSUQVIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c11-5-8-9-6(12)10(5)4-1-2-7-3-4/h4,7H,1-3H2,(H,8,11)(H,9,12).
What are the key properties of 4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione?
4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione has a molecular weight of 170.17 g/mol, XLogP of -1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107410005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).