5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one

C9H14N4O2 — CID 75465224

IUPAC5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1N1CCC(O)CC1
InChIInChI=1S/C9H14N4O2/c1-6-8(10-9(15)12-11-6)13-4-2-7(14)3-5-13/h7,14H,2-5H2,1H3,(H,10,12,15)
InChIKeyAJKMCYHNTUFZQI-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.57
Rot. Bonds1

About 5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one

5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 75465224) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID75465224
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1N1CCC(O)CC1
InChIInChI=1S/C9H14N4O2/c1-6-8(10-9(15)12-11-6)13-4-2-7(14)3-5-13/h7,14H,2-5H2,1H3,(H,10,12,15)
InChIKeyAJKMCYHNTUFZQI-UHFFFAOYSA-N
XLogP-0.57
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-hydroxypiperidin-1-yl)-6-methyl-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-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one (CID 75465224) is 5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1N1CCC(O)CC1.
What is the InChIKey of 5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is AJKMCYHNTUFZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-8(10-9(15)12-11-6)13-4-2-7(14)3-5-13/h7,14H,2-5H2,1H3,(H,10,12,15).
What are the key properties of 5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one?
5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 210.24 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 75465224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).