9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline

C10H7F3N4 — CID 156703508

IUPAC9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFC(F)(F)c1cccc2c1-n1cnnc1CN2
InChIInChI=1S/C10H7F3N4/c11-10(12,13)6-2-1-3-7-9(6)17-5-15-16-8(17)4-14-7/h1-3,5,14H,4H2
InChIKeyCGJRAEFIIVNCLN-UHFFFAOYSA-N
MW240.19 g/mol
LogP2.21
Rot. Bonds

About 9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline

9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 156703508) has the molecular formula C10H7F3N4 and a molecular weight of 240.19 g/mol. Its IUPAC name is 9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID156703508
Molecular FormulaC10H7F3N4
Molecular Weight240.19 g/mol
Exact Mass240.06
IUPAC Name9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFC(F)(F)c1cccc2c1-n1cnnc1CN2
InChIInChI=1S/C10H7F3N4/c11-10(12,13)6-2-1-3-7-9(6)17-5-15-16-8(17)4-14-7/h1-3,5,14H,4H2
InChIKeyCGJRAEFIIVNCLN-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]
CID 115096893
8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 55267549
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097937
2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol
CID 117235999
2-[[4-[2-benzoyl-6-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione
CID 154320699
5-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115098284
4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline
CID 115095110
4-phenyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 8896274
8-(trifluoromethyl)-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 115094955
7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 105466528
4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 172992549
bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane
CID 12073570

Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline (CID 156703508) is 9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline is FC(F)(F)c1cccc2c1-n1cnnc1CN2.
What is the InChIKey of 9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is CGJRAEFIIVNCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4/c11-10(12,13)6-2-1-3-7-9(6)17-5-15-16-8(17)4-14-7/h1-3,5,14H,4H2.
What are the key properties of 9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline?
9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 240.19 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 156703508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).