N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine

C20H20F6N6O — CID 176769522

IUPACN-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESCCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3OC(F)(F)F)c3cncn23)C1
InChIInChI=1S/C20H20F6N6O/c1-2-31-7-3-4-13(10-31)28-18-30-29-17(15-9-27-11-32(15)18)14-6-5-12(19(21,22)23)8-16(14)33-20(24,25)26/h5-6,8-9,11,13H,2-4,7,10H2,1H3,(H,28,30)/t13-/m1/s1
InChIKeyLNARCQHPSVZDFW-CYBMUJFWSA-N
MW474.41 g/mol
LogP4.60
Rot. Bonds5

About N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine

N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine (PubChem CID 176769522) has the molecular formula C20H20F6N6O and a molecular weight of 474.41 g/mol. Its IUPAC name is N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
PubChem CID176769522
Molecular FormulaC20H20F6N6O
Molecular Weight474.41 g/mol
Exact Mass474.16
IUPAC NameN-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
SMILESCCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3OC(F)(F)F)c3cncn23)C1
InChIInChI=1S/C20H20F6N6O/c1-2-31-7-3-4-13(10-31)28-18-30-29-17(15-9-27-11-32(15)18)14-6-5-12(19(21,22)23)8-16(14)33-20(24,25)26/h5-6,8-9,11,13H,2-4,7,10H2,1H3,(H,28,30)/t13-/m1/s1
InChIKeyLNARCQHPSVZDFW-CYBMUJFWSA-N
XLogP4.60
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-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-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The IUPAC name of N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine (CID 176769522) is N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine.
What is the SMILES notation for N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The canonical SMILES for N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine is CCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3OC(F)(F)F)c3cncn23)C1.
What is the InChIKey of N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
The InChIKey is LNARCQHPSVZDFW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20F6N6O/c1-2-31-7-3-4-13(10-31)28-18-30-29-17(15-9-27-11-32(15)18)14-6-5-12(19(21,22)23)8-16(14)33-20(24,25)26/h5-6,8-9,11,13H,2-4,7,10H2,1H3,(H,28,30)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine?
N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine has a molecular weight of 474.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine is sourced from PubChem (CID 176769522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).