2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C15H9FN4O2 — CID 135976804

IUPAC2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(O)cc2c2nc(-c3ccccc3F)nn12
InChIInChI=1S/C15H9FN4O2/c16-11-4-2-1-3-9(11)13-18-14-10-7-8(21)5-6-12(10)17-15(22)20(14)19-13/h1-7,21H,(H,17,22)
InChIKeyYXDATKVNIRZVBP-UHFFFAOYSA-N
MW296.26 g/mol
LogP2.08
Rot. Bonds1

About 2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135976804) has the molecular formula C15H9FN4O2 and a molecular weight of 296.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135976804
Molecular FormulaC15H9FN4O2
Molecular Weight296.26 g/mol
Exact Mass296.07
IUPAC Name2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(O)cc2c2nc(-c3ccccc3F)nn12
InChIInChI=1S/C15H9FN4O2/c16-11-4-2-1-3-9(11)13-18-14-10-7-8(21)5-6-12(10)17-15(22)20(14)19-13/h1-7,21H,(H,17,22)
InChIKeyYXDATKVNIRZVBP-UHFFFAOYSA-N
XLogP2.08
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-chloro-2-(4-hydroxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)one
CID 135736241
2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135495513
9-methoxy-2-propan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 164624110
2-(3,5-dimethoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135623377
2-(2-fluorophenyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136092326
2-methyl-9-(trifluoromethoxy)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136146118
9-trifluoromethoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136333082
2-[2-(trifluoromethoxy)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156067929
7-fluoro-2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074229
2-[5-fluoro-2-(trifluoromethoxy)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074251
2-(4-fluorophenyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074274
2-[3-(trifluoromethoxy)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074293

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135976804) is 2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccc(O)cc2c2nc(-c3ccccc3F)nn12.
What is the InChIKey of 2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is YXDATKVNIRZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O2/c16-11-4-2-1-3-9(11)13-18-14-10-7-8(21)5-6-12(10)17-15(22)20(14)19-13/h1-7,21H,(H,17,22).
What are the key properties of 2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 296.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135976804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).