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

C15H9FN4O — CID 135736247

IUPAC2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(-c3ccccc3F)nn12
InChIInChI=1S/C15H9FN4O/c16-11-7-3-1-5-9(11)13-18-14-10-6-2-4-8-12(10)17-15(21)20(14)19-13/h1-8H,(H,17,21)
InChIKeyFQPNNOSGYJAGAX-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.38
Rot. Bonds1

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

2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135736247) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135736247
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(-c3ccccc3F)nn12
InChIInChI=1S/C15H9FN4O/c16-11-7-3-1-5-9(11)13-18-14-10-6-2-4-8-12(10)17-15(21)20(14)19-13/h1-8H,(H,17,21)
InChIKeyFQPNNOSGYJAGAX-UHFFFAOYSA-N
XLogP2.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135465884
2-methyl-5H,6H-(1,2,4)triazolo(1,5-c)quinazolin-5-one
CID 135463200
9-Chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-ol
CID 135736240
6-Methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 14031879
2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135416471
2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736242
7,9-dichloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)one
CID 135736246
9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736249
2-(2-fluorophenyl)-7,8,9,10-tetrahydropyrido[3,4-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)one
CID 135767477
2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135767481
9-Chloro-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(3H)-one
CID 135778278
2-(Pyridin-4-yl)1,2,4-triazolo[1,5-c]quinazolin-5(6H)-one
CID 135799513

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135736247) is 2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccccc2c2nc(-c3ccccc3F)nn12.
What is the InChIKey of 2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is FQPNNOSGYJAGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c16-11-7-3-1-5-9(11)13-18-14-10-6-2-4-8-12(10)17-15(21)20(14)19-13/h1-8H,(H,17,21).
What are the key properties of 2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 280.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135736247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).