N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C15H14F3N5 — CID 10245502

IUPACN-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESFC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12
InChIInChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)
InChIKeyGVZAERDMOPXBGE-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.65
Rot. Bonds2

About N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 10245502) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID10245502
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC NameN-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESFC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12
InChIInChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)
InChIKeyGVZAERDMOPXBGE-UHFFFAOYSA-N
XLogP3.65
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 10245502) is N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12.
What is the InChIKey of N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is GVZAERDMOPXBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20).
What are the key properties of N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 321.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 10245502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).