1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid

C24H23N3O6 — CID 67471599

IUPAC1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCOCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H23N3O6/c1-33-13-12-25-15-27(19(16-8-4-2-5-9-16)17-10-6-3-7-11-17)26-14-18(24(31)32)21(28)22(29)20(26)23(25)30/h2-11,14,19,29H,12-13,15H2,1H3,(H,31,32)
InChIKeyHEYDIWIRZJNKGZ-UHFFFAOYSA-N
MW449.46 g/mol
LogP2.04
Rot. Bonds7

About 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid

1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (PubChem CID 67471599) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
PubChem CID67471599
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCOCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H23N3O6/c1-33-13-12-25-15-27(19(16-8-4-2-5-9-16)17-10-6-3-7-11-17)26-14-18(24(31)32)21(28)22(29)20(26)23(25)30/h2-11,14,19,29H,12-13,15H2,1H3,(H,31,32)
InChIKeyHEYDIWIRZJNKGZ-UHFFFAOYSA-N
XLogP2.04
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid 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 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (CID 67471599) is 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O.
What is the InChIKey of 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The InChIKey is HEYDIWIRZJNKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-33-13-12-25-15-27(19(16-8-4-2-5-9-16)17-10-6-3-7-11-17)26-14-18(24(31)32)21(28)22(29)20(26)23(25)30/h2-11,14,19,29H,12-13,15H2,1H3,(H,31,32).
What are the key properties of 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid has a molecular weight of 449.46 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 67471599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).