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

C7H12N4O2 — CID 107409691

IUPAC4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1C1CCCNC1
InChIInChI=1S/C7H12N4O2/c12-6-9-10-7(13)11(6)5-2-1-3-8-4-5/h5,8H,1-4H2,(H,9,12)(H,10,13)
InChIKeyIUZDRXJBZLANAK-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.21
Rot. Bonds1

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

4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione (PubChem CID 107409691) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione
PubChem CID107409691
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1C1CCCNC1
InChIInChI=1S/C7H12N4O2/c12-6-9-10-7(13)11(6)5-2-1-3-8-4-5/h5,8H,1-4H2,(H,9,12)(H,10,13)
InChIKeyIUZDRXJBZLANAK-UHFFFAOYSA-N
XLogP-1.21
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione (CID 107409691) is 4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1C1CCCNC1.
What is the InChIKey of 4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione?
The InChIKey is IUZDRXJBZLANAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c12-6-9-10-7(13)11(6)5-2-1-3-8-4-5/h5,8H,1-4H2,(H,9,12)(H,10,13).
What are the key properties of 4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione?
4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione has a molecular weight of 184.20 g/mol, XLogP of -1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-yl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).