9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C15H8ClFN4O — CID 135736249

IUPAC9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(Cl)cc2c2nc(-c3cccc(F)c3)nn12
InChIInChI=1S/C15H8ClFN4O/c16-9-4-5-12-11(7-9)14-19-13(20-21(14)15(22)18-12)8-2-1-3-10(17)6-8/h1-7H,(H,18,22)
InChIKeyCXIQMWZZPOASFJ-UHFFFAOYSA-N
MW314.71 g/mol
LogP3.03
Rot. Bonds1

About 9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135736249) has the molecular formula C15H8ClFN4O and a molecular weight of 314.71 g/mol. Its IUPAC name is 9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135736249
Molecular FormulaC15H8ClFN4O
Molecular Weight314.71 g/mol
Exact Mass314.04
IUPAC Name9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(Cl)cc2c2nc(-c3cccc(F)c3)nn12
InChIInChI=1S/C15H8ClFN4O/c16-9-4-5-12-11(7-9)14-19-13(20-21(14)15(22)18-12)8-2-1-3-10(17)6-8/h1-7H,(H,18,22)
InChIKeyCXIQMWZZPOASFJ-UHFFFAOYSA-N
XLogP3.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.71
LogP ≤ 53.03
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
2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736247
9-chloro-2-thiophen-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035274
2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135416471
9-chloro-2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736244
7,9-dichloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)one
CID 135736246
9-chloro-2-pyridin-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736250
9-Chloro-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(3H)-one
CID 135778278
2-Benzyl-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 135976288
9-chloro-2-(4-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035280

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135736249) is 9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccc(Cl)cc2c2nc(-c3cccc(F)c3)nn12.
What is the InChIKey of 9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is CXIQMWZZPOASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN4O/c16-9-4-5-12-11(7-9)14-19-13(20-21(14)15(22)18-12)8-2-1-3-10(17)6-8/h1-7H,(H,18,22).
What are the key properties of 9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 314.71 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135736249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).