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

C23H23N3O4 — CID 67471531

IUPAC5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCOCCN1CN(Cc2ccccc2-c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C23H23N3O4/c1-30-14-13-24-16-25(26-12-11-20(27)22(28)21(26)23(24)29)15-18-9-5-6-10-19(18)17-7-3-2-4-8-17/h2-12,28H,13-16H2,1H3
InChIKeyGYCKFJDKZXFZRW-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.42
Rot. Bonds6

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

5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 67471531) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID67471531
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCOCCN1CN(Cc2ccccc2-c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C23H23N3O4/c1-30-14-13-24-16-25(26-12-11-20(27)22(28)21(26)23(24)29)15-18-9-5-6-10-19(18)17-7-3-2-4-8-17/h2-12,28H,13-16H2,1H3
InChIKeyGYCKFJDKZXFZRW-UHFFFAOYSA-N
XLogP2.42
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 67471531) is 5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is COCCN1CN(Cc2ccccc2-c2ccccc2)n2ccc(=O)c(O)c2C1=O.
What is the InChIKey of 5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is GYCKFJDKZXFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-30-14-13-24-16-25(26-12-11-20(27)22(28)21(26)23(24)29)15-18-9-5-6-10-19(18)17-7-3-2-4-8-17/h2-12,28H,13-16H2,1H3.
What are the key properties of 5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
5-hydroxy-3-(2-methoxyethyl)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 405.45 g/mol, XLogP of 2.42, 6 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)-1-[(2-phenylphenyl)methyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 67471531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).