2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione

C9H8N4O2 — CID 71390982

IUPAC2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione
SMILESO=c1cnn(Cc2ccccn2)c(=O)[nH]1
InChIInChI=1S/C9H8N4O2/c14-8-5-11-13(9(15)12-8)6-7-3-1-2-4-10-7/h1-5H,6H2,(H,12,14,15)
InChIKeyAJAAFXMRSVXARO-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.63
Rot. Bonds2

About 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione

2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione (PubChem CID 71390982) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione
PubChem CID71390982
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione
SMILESO=c1cnn(Cc2ccccn2)c(=O)[nH]1
InChIInChI=1S/C9H8N4O2/c14-8-5-11-13(9(15)12-8)6-7-3-1-2-4-10-7/h1-5H,6H2,(H,12,14,15)
InChIKeyAJAAFXMRSVXARO-UHFFFAOYSA-N
XLogP-0.63
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
CID 119089149
2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine
CID 139912436
6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 124926524
1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde
CID 123739910
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 10224932
6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 126853156
1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
CID 62564407
3-amino-6-hydroxy-2-(pyridin-2-ylmethyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136506414
4-methyl-1-phenyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846184
3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one
CID 135848128
1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846457
5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 63801481

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione (CID 71390982) is 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione is O=c1cnn(Cc2ccccn2)c(=O)[nH]1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione?
The InChIKey is AJAAFXMRSVXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-8-5-11-13(9(15)12-8)6-7-3-1-2-4-10-7/h1-5H,6H2,(H,12,14,15).
What are the key properties of 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione?
2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione has a molecular weight of 204.19 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 71390982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).