4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline

C11H7F3N4 — CID 71059782

IUPAC4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2ccc(C(F)(F)F)cc2n2cnnc12
InChIInChI=1S/C11H7F3N4/c1-6-10-17-15-5-18(10)9-4-7(11(12,13)14)2-3-8(9)16-6/h2-5H,1H3
InChIKeyNTUIHBAZEMATNB-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.60
Rot. Bonds

About 4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline

4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 71059782) has the molecular formula C11H7F3N4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID71059782
Molecular FormulaC11H7F3N4
Molecular Weight252.20 g/mol
Exact Mass252.06
IUPAC Name4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2ccc(C(F)(F)F)cc2n2cnnc12
InChIInChI=1S/C11H7F3N4/c1-6-10-17-15-5-18(10)9-4-7(11(12,13)14)2-3-8(9)16-6/h2-5H,1H3
InChIKeyNTUIHBAZEMATNB-UHFFFAOYSA-N
XLogP2.60
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 123187729
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
CID 66614356
2-methyl-6-(trifluoromethyl)quinolin-3-ol
CID 74222839
6-(trifluoromethyl)benzotriazol-1-amine
CID 123807461
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 59177162
3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde
CID 87324786
N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431325
5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine
CID 134297226
2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole
CID 142765912
[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059612
N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine
CID 70521729

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 71059782) is 4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nc2ccc(C(F)(F)F)cc2n2cnnc12.
What is the InChIKey of 4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is NTUIHBAZEMATNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4/c1-6-10-17-15-5-18(10)9-4-7(11(12,13)14)2-3-8(9)16-6/h2-5H,1H3.
What are the key properties of 4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 252.20 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 71059782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).