8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C10H4ClF3N4O — CID 13385704

IUPAC8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(Cl)cc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C10H4ClF3N4O/c11-4-1-2-5-6(3-4)18-7(8(19)15-5)16-17-9(18)10(12,13)14/h1-3H,(H,15,19)
InChIKeyFMTFOUJZYXMZBR-UHFFFAOYSA-N
MW288.62 g/mol
LogP2.24
Rot. Bonds

About 8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 13385704) has the molecular formula C10H4ClF3N4O and a molecular weight of 288.62 g/mol. Its IUPAC name is 8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID13385704
Molecular FormulaC10H4ClF3N4O
Molecular Weight288.62 g/mol
Exact Mass288.00
IUPAC Name8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(Cl)cc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C10H4ClF3N4O/c11-4-1-2-5-6(3-4)18-7(8(19)15-5)16-17-9(18)10(12,13)14/h1-3H,(H,15,19)
InChIKeyFMTFOUJZYXMZBR-UHFFFAOYSA-N
XLogP2.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-ol
CID 3843652
7,8-Dichloro-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 9948141
7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10244065
4-Acetylamino-1-trifluoromethyl-8-chloro[1,2,4]triazolo[4,3-a]quinoxaline
CID 13385819
Ethyl 8-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 44461607
8-chloro-2-(3-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 9972965
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10357363
8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10425813
7,9-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10566031
7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10635371
Ethyl 7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10661355
9-amino-7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 25022525

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 13385704) is 8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2ccc(Cl)cc2n2c(C(F)(F)F)nnc12.
What is the InChIKey of 8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is FMTFOUJZYXMZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N4O/c11-4-1-2-5-6(3-4)18-7(8(19)15-5)16-17-9(18)10(12,13)14/h1-3H,(H,15,19).
What are the key properties of 8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 288.62 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 13385704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).