N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C17H23F3N6O — CID 171798288

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NC3CC4CCC(C3)N4)nc(OCC(F)(F)F)nc12
InChIInChI=1S/C17H23F3N6O/c1-9(2)13-7-21-26-14(13)24-16(27-8-17(18,19)20)25-15(26)23-12-5-10-3-4-11(6-12)22-10/h7,9-12,22H,3-6,8H2,1-2H3,(H,23,24,25)
InChIKeyJUYNFGFYXMJWPN-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.88
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 171798288) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID171798288
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NC3CC4CCC(C3)N4)nc(OCC(F)(F)F)nc12
InChIInChI=1S/C17H23F3N6O/c1-9(2)13-7-21-26-14(13)24-16(27-8-17(18,19)20)25-15(26)23-12-5-10-3-4-11(6-12)22-10/h7,9-12,22H,3-6,8H2,1-2H3,(H,23,24,25)
InChIKeyJUYNFGFYXMJWPN-UHFFFAOYSA-N
XLogP2.88
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]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

Related Compounds

WO2023001061, Example 23
CID 166594743
Tert-butyl 3-[[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798163
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 171798191
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 171798219
Pyrrolidin-3-yl 3-[[8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798229
[1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 3-[[8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798282
[1-[(2-Methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 3-[[8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798298
Pyrrolidin-3-yl 3-[[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798362
Tert-butyl 3-[[3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798414
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 171798432
[1-[(2-Methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 3-[[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798454
Pyrrolidin-3-yl 3-[[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798457

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 171798288) is N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NC3CC4CCC(C3)N4)nc(OCC(F)(F)F)nc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is JUYNFGFYXMJWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-9(2)13-7-21-26-14(13)24-16(27-8-17(18,19)20)25-15(26)23-12-5-10-3-4-11(6-12)22-10/h7,9-12,22H,3-6,8H2,1-2H3,(H,23,24,25).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 384.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 171798288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).