N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C17H19F6N5O — CID 129216653

IUPACN-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(Oc1ccc(C(F)(F)F)n2nc(NC3[C@@H]4CC[C@H]3CNC4)nc12)C(F)(F)F
InChIInChI=1S/C17H19F6N5O/c1-8(16(18,19)20)29-11-4-5-12(17(21,22)23)28-14(11)26-15(27-28)25-13-9-2-3-10(13)7-24-6-9/h4-5,8-10,13,24H,2-3,6-7H2,1H3,(H,25,27)/t8?,9-,10+,13?
InChIKeyCESFMYUVVZJQGV-PTNFSGFOSA-N
MW423.36 g/mol
LogP3.49
Rot. Bonds4

About N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129216653) has the molecular formula C17H19F6N5O and a molecular weight of 423.36 g/mol. Its IUPAC name is N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129216653
Molecular FormulaC17H19F6N5O
Molecular Weight423.36 g/mol
Exact Mass423.15
IUPAC NameN-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(Oc1ccc(C(F)(F)F)n2nc(NC3[C@@H]4CC[C@H]3CNC4)nc12)C(F)(F)F
InChIInChI=1S/C17H19F6N5O/c1-8(16(18,19)20)29-11-4-5-12(17(21,22)23)28-14(11)26-15(27-28)25-13-9-2-3-10(13)7-24-6-9/h4-5,8-10,13,24H,2-3,6-7H2,1H3,(H,25,27)/t8?,9-,10+,13?
InChIKeyCESFMYUVVZJQGV-PTNFSGFOSA-N
XLogP3.49
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129216653) is N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(Oc1ccc(C(F)(F)F)n2nc(NC3[C@@H]4CC[C@H]3CNC4)nc12)C(F)(F)F.
What is the InChIKey of N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is CESFMYUVVZJQGV-PTNFSGFOSA-N. The full InChI is InChI=1S/C17H19F6N5O/c1-8(16(18,19)20)29-11-4-5-12(17(21,22)23)28-14(11)26-15(27-28)25-13-9-2-3-10(13)7-24-6-9/h4-5,8-10,13,24H,2-3,6-7H2,1H3,(H,25,27)/t8?,9-,10+,13?.
What are the key properties of N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 423.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129216653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).