5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C15H23N3O4 — CID 130310662

IUPAC5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCOCCN1CN(CC(C)C)n2cc(C)c(=O)c(O)c2C1=O
InChIInChI=1S/C15H23N3O4/c1-10(2)7-17-9-16(5-6-22-4)15(21)12-14(20)13(19)11(3)8-18(12)17/h8,10,20H,5-7,9H2,1-4H3
InChIKeyYTKJZVGHTBZVIJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.52
Rot. Bonds5

About 5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 130310662) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID130310662
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCOCCN1CN(CC(C)C)n2cc(C)c(=O)c(O)c2C1=O
InChIInChI=1S/C15H23N3O4/c1-10(2)7-17-9-16(5-6-22-4)15(21)12-14(20)13(19)11(3)8-18(12)17/h8,10,20H,5-7,9H2,1-4H3
InChIKeyYTKJZVGHTBZVIJ-UHFFFAOYSA-N
XLogP0.52
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione 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-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 130310662) is 5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is COCCN1CN(CC(C)C)n2cc(C)c(=O)c(O)c2C1=O.
What is the InChIKey of 5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is YTKJZVGHTBZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10(2)7-17-9-16(5-6-22-4)15(21)12-14(20)13(19)11(3)8-18(12)17/h8,10,20H,5-7,9H2,1-4H3.
What are the key properties of 5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 309.37 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(2-methoxyethyl)-7-methyl-1-(2-methylpropyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 130310662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).