6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione

C8H12N4O2 — CID 3116143

IUPAC6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c13-7-6(10-11-8(14)9-7)12-4-2-1-3-5-12/h1-5H2,(H2,9,11,13,14)
InChIKeyNYPMRECMZICROQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.55
Rot. Bonds1

About 6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione

6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione (PubChem CID 3116143) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione
PubChem CID3116143
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c13-7-6(10-11-8(14)9-7)12-4-2-1-3-5-12/h1-5H2,(H2,9,11,13,14)
InChIKeyNYPMRECMZICROQ-UHFFFAOYSA-N
XLogP-0.55
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione (CID 3116143) is 6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is NYPMRECMZICROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7-6(10-11-8(14)9-7)12-4-2-1-3-5-12/h1-5H2,(H2,9,11,13,14).
What are the key properties of 6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione?
6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 196.21 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 3116143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).