5-piperidin-1-yl-2H-1,2,4-triazin-3-one

C8H12N4O — CID 22694033

IUPAC5-piperidin-1-yl-2H-1,2,4-triazin-3-one
SMILESO=c1nc(N2CCCCC2)cn[nH]1
InChIInChI=1S/C8H12N4O/c13-8-10-7(6-9-11-8)12-4-2-1-3-5-12/h6H,1-5H2,(H,10,11,13)
InChIKeyULLGXNKRJABKPW-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.16
Rot. Bonds1

About 5-piperidin-1-yl-2H-1,2,4-triazin-3-one

5-piperidin-1-yl-2H-1,2,4-triazin-3-one (PubChem CID 22694033) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-piperidin-1-yl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-piperidin-1-yl-2H-1,2,4-triazin-3-one
PubChem CID22694033
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-piperidin-1-yl-2H-1,2,4-triazin-3-one
SMILESO=c1nc(N2CCCCC2)cn[nH]1
InChIInChI=1S/C8H12N4O/c13-8-10-7(6-9-11-8)12-4-2-1-3-5-12/h6H,1-5H2,(H,10,11,13)
InChIKeyULLGXNKRJABKPW-UHFFFAOYSA-N
XLogP0.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-piperidin-1-yl-2H-1,2,4-triazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-piperidin-1-yl-2H-1,2,4-triazin-3-one (CID 22694033) is 5-piperidin-1-yl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-piperidin-1-yl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-piperidin-1-yl-2H-1,2,4-triazin-3-one is O=c1nc(N2CCCCC2)cn[nH]1.
What is the InChIKey of 5-piperidin-1-yl-2H-1,2,4-triazin-3-one?
The InChIKey is ULLGXNKRJABKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-8-10-7(6-9-11-8)12-4-2-1-3-5-12/h6H,1-5H2,(H,10,11,13).
What are the key properties of 5-piperidin-1-yl-2H-1,2,4-triazin-3-one?
5-piperidin-1-yl-2H-1,2,4-triazin-3-one has a molecular weight of 180.21 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 22694033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).