8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C10H4ClF3N4O — CID 70510639

IUPAC8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2c(C(F)(F)F)cc(Cl)cc2n2cnnc12
InChIInChI=1S/C10H4ClF3N4O/c11-4-1-5(10(12,13)14)7-6(2-4)18-3-15-17-8(18)9(19)16-7/h1-3H,(H,16,19)
InChIKeyNOTIRBSIDHRFFV-UHFFFAOYSA-N
MW288.62 g/mol
LogP2.24
Rot. Bonds

About 8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 70510639) has the molecular formula C10H4ClF3N4O and a molecular weight of 288.62 g/mol. Its IUPAC name is 8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID70510639
Molecular FormulaC10H4ClF3N4O
Molecular Weight288.62 g/mol
Exact Mass288.00
IUPAC Name8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2c(C(F)(F)F)cc(Cl)cc2n2cnnc12
InChIInChI=1S/C10H4ClF3N4O/c11-4-1-5(10(12,13)14)7-6(2-4)18-3-15-17-8(18)9(19)16-7/h1-3H,(H,16,19)
InChIKeyNOTIRBSIDHRFFV-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

7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10244065
6,7-Dichloro-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 10496324
6,7-Dichloro-5-[(5-methyl-1,2,4-triazol-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 10806016
7,9-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10264324
8-chloro-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405106
8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 11687301
8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 5135207
8-Chloro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
CID 13385704
5-Methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 56615460
5-Butyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 70501276
8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 70510470
6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 70512190

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 70510639) is 8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2c(C(F)(F)F)cc(Cl)cc2n2cnnc12.
What is the InChIKey of 8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is NOTIRBSIDHRFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N4O/c11-4-1-5(10(12,13)14)7-6(2-4)18-3-15-17-8(18)9(19)16-7/h1-3H,(H,16,19).
What are the key properties of 8-chloro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
8-chloro-6-(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-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 70510639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).