8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

C15H11F3N6O2 — CID 19438771

IUPAC8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESCc1cn(-c2cc3c(cc2C(F)(F)F)[nH]c(=O)c2n[nH]c(=O)n23)c(C)n1
InChIInChI=1S/C15H11F3N6O2/c1-6-5-23(7(2)19-6)10-4-11-9(3-8(10)15(16,17)18)20-13(25)12-21-22-14(26)24(11)12/h3-5H,1-2H3,(H,20,25)(H,22,26)
InChIKeyTWOIZOOSRXYGET-UHFFFAOYSA-N
MW364.29 g/mol
LogP1.69
Rot. Bonds1

About 8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (PubChem CID 19438771) has the molecular formula C15H11F3N6O2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.

Molecular Properties

Compound Name8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
PubChem CID19438771
Molecular FormulaC15H11F3N6O2
Molecular Weight364.29 g/mol
Exact Mass364.09
IUPAC Name8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESCc1cn(-c2cc3c(cc2C(F)(F)F)[nH]c(=O)c2n[nH]c(=O)n23)c(C)n1
InChIInChI=1S/C15H11F3N6O2/c1-6-5-23(7(2)19-6)10-4-11-9(3-8(10)15(16,17)18)20-13(25)12-21-22-14(26)24(11)12/h3-5H,1-2H3,(H,20,25)(H,22,26)
InChIKeyTWOIZOOSRXYGET-UHFFFAOYSA-N
XLogP1.69
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The IUPAC name of 8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (CID 19438771) is 8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.
What is the SMILES notation for 8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The canonical SMILES for 8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is Cc1cn(-c2cc3c(cc2C(F)(F)F)[nH]c(=O)c2n[nH]c(=O)n23)c(C)n1.
What is the InChIKey of 8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The InChIKey is TWOIZOOSRXYGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2/c1-6-5-23(7(2)19-6)10-4-11-9(3-8(10)15(16,17)18)20-13(25)12-21-22-14(26)24(11)12/h3-5H,1-2H3,(H,20,25)(H,22,26).
What are the key properties of 8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione has a molecular weight of 364.29 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is sourced from PubChem (CID 19438771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).