6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione

C17H11FN4O4 — CID 10713090

IUPAC6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESCOc1ccc(-c2nn3c(=O)n(-c4ccc(F)cc4)c(=O)nc3o2)cc1
InChIInChI=1S/C17H11FN4O4/c1-25-13-8-2-10(3-9-13)14-20-22-16(26-14)19-15(23)21(17(22)24)12-6-4-11(18)5-7-12/h2-9H,1H3
InChIKeyHUQILALQNLYVTC-UHFFFAOYSA-N
MW354.30 g/mol
LogP1.65
Rot. Bonds3

About 6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione

6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (PubChem CID 10713090) has the molecular formula C17H11FN4O4 and a molecular weight of 354.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
PubChem CID10713090
Molecular FormulaC17H11FN4O4
Molecular Weight354.30 g/mol
Exact Mass354.08
IUPAC Name6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESCOc1ccc(-c2nn3c(=O)n(-c4ccc(F)cc4)c(=O)nc3o2)cc1
InChIInChI=1S/C17H11FN4O4/c1-25-13-8-2-10(3-9-13)14-20-22-16(26-14)19-15(23)21(17(22)24)12-6-4-11(18)5-7-12/h2-9H,1H3
InChIKeyHUQILALQNLYVTC-UHFFFAOYSA-N
XLogP1.65
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3079456
5H-1,3,4-Oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,3-benzodioxol-5-yl)-6-phenyl-
CID 3087902
5H-1,3,4-Oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-
CID 3087903
5H-1,3,4-Oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-
CID 3087965
(1Z)-1-[(4-methoxyphenyl)-phenylmethylidene]-5-oxo-4-phenyl-1,2,4-triazol-1-ium-3-olate
CID 12827823
6-(4-Fluorophenyl)-2-(4-methoxyphenyl)-5-sulfanylidene-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazin-7-one
CID 10547117
6-(4-Fluorophenyl)-2-(2-methoxyphenyl)-5-sulfanylidene-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazin-7-one
CID 10595326
6-(4-Fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10615943
6-(4-Fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10713089
5-(3-fluoro-4-methoxyanilino)-7-phenyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94674166
5-(3-fluoroanilino)-7-(3-methoxyphenyl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94674168
5-(2-Fluoro-phenylamino)-7-(3-methoxy-phenyl)-2h-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94674169

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The IUPAC name of 6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (CID 10713090) is 6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The canonical SMILES for 6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is COc1ccc(-c2nn3c(=O)n(-c4ccc(F)cc4)c(=O)nc3o2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The InChIKey is HUQILALQNLYVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O4/c1-25-13-8-2-10(3-9-13)14-20-22-16(26-14)19-15(23)21(17(22)24)12-6-4-11(18)5-7-12/h2-9H,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione has a molecular weight of 354.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is sourced from PubChem (CID 10713090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).