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

C20H13F3N6O2 — CID 19438783

IUPAC8-(4-methyl-2-phenylimidazol-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(-c2ccccc2)n1
InChIInChI=1S/C20H13F3N6O2/c1-10-9-28(16(24-10)11-5-3-2-4-6-11)14-8-15-13(7-12(14)20(21,22)23)25-18(30)17-26-27-19(31)29(15)17/h2-9H,1H3,(H,25,30)(H,27,31)
InChIKeyNQOQHGVKBCEMFA-UHFFFAOYSA-N
MW426.36 g/mol
LogP3.04
Rot. Bonds2

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

8-(4-methyl-2-phenylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (PubChem CID 19438783) has the molecular formula C20H13F3N6O2 and a molecular weight of 426.36 g/mol. Its IUPAC name is 8-(4-methyl-2-phenylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.

Molecular Properties

Compound Name8-(4-methyl-2-phenylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
PubChem CID19438783
Molecular FormulaC20H13F3N6O2
Molecular Weight426.36 g/mol
Exact Mass426.11
IUPAC Name8-(4-methyl-2-phenylimidazol-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(-c2ccccc2)n1
InChIInChI=1S/C20H13F3N6O2/c1-10-9-28(16(24-10)11-5-3-2-4-6-11)14-8-15-13(7-12(14)20(21,22)23)25-18(30)17-26-27-19(31)29(15)17/h2-9H,1H3,(H,25,30)(H,27,31)
InChIKeyNQOQHGVKBCEMFA-UHFFFAOYSA-N
XLogP3.04
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Trifluoromethyl)-7-(1H-imidazol-1-yl)quinoxaline-2,3(1H,4H)-dione
CID 10379801
8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
CID 10781868
4-Oxo-8-pyrrol-1-yl-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11451327
N-[4-(1-methylimidazol-4-yl)-3-[3-(trifluoromethyl)anilino]phenyl]prop-2-enamide
CID 155344219
4-Oxo-8-pyrrol-1-yl-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 11406664
6-Imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 11776498
N-[7-imidazol-1-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]benzamide
CID 139582018
6-Imidazol-1-yl-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 10424626
N-m-(trifluoromethyl)phenyl[2-(4-pyridyl)-1H-1,3-benzimidazol-1-yl]acetamide
CID 30867824
2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30867684
8-(4-Methyl-2-phenyl-1H-imidazol-1-yl)-1-phosphonomethyl-7-trifluoromethyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
CID 9935888
N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
CID 11187401

Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-2-phenylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The IUPAC name of 8-(4-methyl-2-phenylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (CID 19438783) is 8-(4-methyl-2-phenylimidazol-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-(4-methyl-2-phenylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The canonical SMILES for 8-(4-methyl-2-phenylimidazol-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(-c2ccccc2)n1.
What is the InChIKey of 8-(4-methyl-2-phenylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The InChIKey is NQOQHGVKBCEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O2/c1-10-9-28(16(24-10)11-5-3-2-4-6-11)14-8-15-13(7-12(14)20(21,22)23)25-18(30)17-26-27-19(31)29(15)17/h2-9H,1H3,(H,25,30)(H,27,31).
What are the key properties of 8-(4-methyl-2-phenylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
8-(4-methyl-2-phenylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione has a molecular weight of 426.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-2-phenylimidazol-1-yl)-7-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is sourced from PubChem (CID 19438783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).