3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C21H18FN3O3 — CID 153181713

IUPAC3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)ccn2NCN1Cc1ccc(F)cc1
InChIInChI=1S/C21H18FN3O3/c22-17-8-6-15(7-9-17)12-24-14-23-25-11-10-18(26)20(19(25)21(24)27)28-13-16-4-2-1-3-5-16/h1-11,23H,12-14H2
InChIKeyWGHJMIYIVTYPFN-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.72
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 153181713) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID153181713
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)ccn2NCN1Cc1ccc(F)cc1
InChIInChI=1S/C21H18FN3O3/c22-17-8-6-15(7-9-17)12-24-14-23-25-11-10-18(26)20(19(25)21(24)27)28-13-16-4-2-1-3-5-16/h1-11,23H,12-14H2
InChIKeyWGHJMIYIVTYPFN-UHFFFAOYSA-N
XLogP2.72
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 153181713) is 3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is O=C1c2c(OCc3ccccc3)c(=O)ccn2NCN1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is WGHJMIYIVTYPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-17-8-6-15(7-9-17)12-24-14-23-25-11-10-18(26)20(19(25)21(24)27)28-13-16-4-2-1-3-5-16/h1-11,23H,12-14H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 379.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 153181713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).