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

C17H11F3N4 — CID 3310540

IUPAC1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1ccc(-c2nnc3c(C(F)(F)F)nc4ccccc4n23)cc1
InChIInChI=1S/C17H11F3N4/c1-10-6-8-11(9-7-10)15-22-23-16-14(17(18,19)20)21-12-4-2-3-5-13(12)24(15)16/h2-9H,1H3
InChIKeyPDEQZKMFUXKNAX-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.27
Rot. Bonds1

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

1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 3310540) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID3310540
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1ccc(-c2nnc3c(C(F)(F)F)nc4ccccc4n23)cc1
InChIInChI=1S/C17H11F3N4/c1-10-6-8-11(9-7-10)15-22-23-16-14(17(18,19)20)21-12-4-2-3-5-13(12)24(15)16/h2-9H,1H3
InChIKeyPDEQZKMFUXKNAX-UHFFFAOYSA-N
XLogP4.27
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 3310540) is 1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1ccc(-c2nnc3c(C(F)(F)F)nc4ccccc4n23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is PDEQZKMFUXKNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c1-10-6-8-11(9-7-10)15-22-23-16-14(17(18,19)20)21-12-4-2-3-5-13(12)24(15)16/h2-9H,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 328.30 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 3310540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).