N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide

C12H7ClF3N5O — CID 13385819

IUPACN-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(Cl)cc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C12H7ClF3N5O/c1-5(22)17-9-10-19-20-11(12(14,15)16)21(10)8-4-6(13)2-3-7(8)18-9/h2-4H,1H3,(H,17,18,22)
InChIKeyXQXSYWLNKYERGT-UHFFFAOYSA-N
MW329.67 g/mol
LogP2.91
Rot. Bonds1

About N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide

N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide (PubChem CID 13385819) has the molecular formula C12H7ClF3N5O and a molecular weight of 329.67 g/mol. Its IUPAC name is N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide.

Molecular Properties

Compound NameN-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
PubChem CID13385819
Molecular FormulaC12H7ClF3N5O
Molecular Weight329.67 g/mol
Exact Mass329.03
IUPAC NameN-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(Cl)cc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C12H7ClF3N5O/c1-5(22)17-9-10-19-20-11(12(14,15)16)21(10)8-4-6(13)2-3-7(8)18-9/h2-4H,1H3,(H,17,18,22)
InChIKeyXQXSYWLNKYERGT-UHFFFAOYSA-N
XLogP2.91
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.67
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
The IUPAC name of N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide (CID 13385819) is N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide.
What is the SMILES notation for N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
The canonical SMILES for N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide is CC(=O)Nc1nc2ccc(Cl)cc2n2c(C(F)(F)F)nnc12.
What is the InChIKey of N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
The InChIKey is XQXSYWLNKYERGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N5O/c1-5(22)17-9-10-19-20-11(12(14,15)16)21(10)8-4-6(13)2-3-7(8)18-9/h2-4H,1H3,(H,17,18,22).
What are the key properties of N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide has a molecular weight of 329.67 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide is sourced from PubChem (CID 13385819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).