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

C10H5F3N4O — CID 135837205

IUPAC2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(C(F)(F)F)nn12
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)8-15-7-5-3-1-2-4-6(5)14-9(18)17(7)16-8/h1-4H,(H,14,18)
InChIKeyOVCXMIBVIDLCMQ-UHFFFAOYSA-N
MW254.17 g/mol
LogP1.59
Rot. Bonds

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

2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135837205) has the molecular formula C10H5F3N4O and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135837205
Molecular FormulaC10H5F3N4O
Molecular Weight254.17 g/mol
Exact Mass254.04
IUPAC Name2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(C(F)(F)F)nn12
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)8-15-7-5-3-1-2-4-6(5)14-9(18)17(7)16-8/h1-4H,(H,14,18)
InChIKeyOVCXMIBVIDLCMQ-UHFFFAOYSA-N
XLogP1.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 51.59
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
2,2,2-trifluoro-N-(5-methyl[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide
CID 1089199
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
9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736249
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
2-Benzyl-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 135976288

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135837205) is 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccccc2c2nc(C(F)(F)F)nn12.
What is the InChIKey of 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is OVCXMIBVIDLCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4O/c11-10(12,13)8-15-7-5-3-1-2-4-6(5)14-9(18)17(7)16-8/h1-4H,(H,14,18).
What are the key properties of 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 254.17 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135837205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).