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

C14H14F3N5 — CID 13385730

IUPACN,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCN(CC)c1nc2ccccc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C14H14F3N5/c1-3-21(4-2)11-12-19-20-13(14(15,16)17)22(12)10-8-6-5-7-9(10)18-11/h5-8H,3-4H2,1-2H3
InChIKeyZHJDHVKDTHCGPR-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.14
Rot. Bonds3

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

N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385730) has the molecular formula C14H14F3N5 and a molecular weight of 309.30 g/mol. Its IUPAC name is N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385730
Molecular FormulaC14H14F3N5
Molecular Weight309.30 g/mol
Exact Mass309.12
IUPAC NameN,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCN(CC)c1nc2ccccc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C14H14F3N5/c1-3-21(4-2)11-12-19-20-13(14(15,16)17)22(12)10-8-6-5-7-9(10)18-11/h5-8H,3-4H2,1-2H3
InChIKeyZHJDHVKDTHCGPR-UHFFFAOYSA-N
XLogP3.14
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385730) is N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCN(CC)c1nc2ccccc2n2c(C(F)(F)F)nnc12.
What is the InChIKey of N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is ZHJDHVKDTHCGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5/c1-3-21(4-2)11-12-19-20-13(14(15,16)17)22(12)10-8-6-5-7-9(10)18-11/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 309.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).