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

C13H12F3N5 — CID 13385731

IUPACN-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCC(C)Nc1nc2ccccc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C13H12F3N5/c1-7(2)17-10-11-19-20-12(13(14,15)16)21(11)9-6-4-3-5-8(9)18-10/h3-7H,1-2H3,(H,17,18)
InChIKeyNNPIEVCZQHMEDQ-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.12
Rot. Bonds2

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

N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385731) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385731
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC NameN-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCC(C)Nc1nc2ccccc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C13H12F3N5/c1-7(2)17-10-11-19-20-12(13(14,15)16)21(11)9-6-4-3-5-8(9)18-10/h3-7H,1-2H3,(H,17,18)
InChIKeyNNPIEVCZQHMEDQ-UHFFFAOYSA-N
XLogP3.12
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385731) is N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CC(C)Nc1nc2ccccc2n2c(C(F)(F)F)nnc12.
What is the InChIKey of N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is NNPIEVCZQHMEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c1-7(2)17-10-11-19-20-12(13(14,15)16)21(11)9-6-4-3-5-8(9)18-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 295.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).