2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide

C12H8F3N5O — CID 1089199

IUPAC2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide
SMILESCc1nc2ccccc2c2nc(NC(=O)C(F)(F)F)nn12
InChIInChI=1S/C12H8F3N5O/c1-6-16-8-5-3-2-4-7(8)9-17-11(19-20(6)9)18-10(21)12(13,14)15/h2-5H,1H3,(H,18,19,21)
InChIKeyVOCPTPDKMCHFFR-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.09
Rot. Bonds1

About 2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide

2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide (PubChem CID 1089199) has the molecular formula C12H8F3N5O and a molecular weight of 295.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide
PubChem CID1089199
Molecular FormulaC12H8F3N5O
Molecular Weight295.22 g/mol
Exact Mass295.07
IUPAC Name2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide
SMILESCc1nc2ccccc2c2nc(NC(=O)C(F)(F)F)nn12
InChIInChI=1S/C12H8F3N5O/c1-6-16-8-5-3-2-4-7(8)9-17-11(19-20(6)9)18-10(21)12(13,14)15/h2-5H,1H3,(H,18,19,21)
InChIKeyVOCPTPDKMCHFFR-UHFFFAOYSA-N
XLogP2.09
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide (CID 1089199) is 2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide is Cc1nc2ccccc2c2nc(NC(=O)C(F)(F)F)nn12.
What is the InChIKey of 2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide?
The InChIKey is VOCPTPDKMCHFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O/c1-6-16-8-5-3-2-4-7(8)9-17-11(19-20(6)9)18-10(21)12(13,14)15/h2-5H,1H3,(H,18,19,21).
What are the key properties of 2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide?
2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide has a molecular weight of 295.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(5-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 1089199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).