[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine

C7H9F3N4O — CID 163294674

IUPAC[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine
SMILESNCC1Cn2c(nnc2C(F)(F)F)CO1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-13-12-5-3-15-4(1-11)2-14(5)6/h4H,1-3,11H2
InChIKeyBKTKSSZRLGLVER-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.15
Rot. Bonds1

About [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine

[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine (PubChem CID 163294674) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine
PubChem CID163294674
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine
SMILESNCC1Cn2c(nnc2C(F)(F)F)CO1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-13-12-5-3-15-4(1-11)2-14(5)6/h4H,1-3,11H2
InChIKeyBKTKSSZRLGLVER-UHFFFAOYSA-N
XLogP0.15
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine 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 [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine (CID 163294674) is [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine is NCC1Cn2c(nnc2C(F)(F)F)CO1.
What is the InChIKey of [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is BKTKSSZRLGLVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)6-13-12-5-3-15-4(1-11)2-14(5)6/h4H,1-3,11H2.
What are the key properties of [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine?
[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 222.17 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 163294674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).