N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H22F3N7OS — CID 129216615

IUPACN-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCCC(F)(F)F)cccn3n2)n1
InChIInChI=1S/C19H22F3N7OS/c1-11-23-18(31-27-11)28-9-12-4-5-13(10-28)15(12)24-17-25-16-14(3-2-7-29(16)26-17)30-8-6-19(20,21)22/h2-3,7,12-13,15H,4-6,8-10H2,1H3,(H,24,26)/t12-,13+,15?
InChIKeyAAEAOCANLCADJJ-NNQSOWQGSA-N
MW453.49 g/mol
LogP3.55
Rot. Bonds6

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

N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129216615) has the molecular formula C19H22F3N7OS and a molecular weight of 453.49 g/mol. Its IUPAC name is N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129216615
Molecular FormulaC19H22F3N7OS
Molecular Weight453.49 g/mol
Exact Mass453.16
IUPAC NameN-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCCC(F)(F)F)cccn3n2)n1
InChIInChI=1S/C19H22F3N7OS/c1-11-23-18(31-27-11)28-9-12-4-5-13(10-28)15(12)24-17-25-16-14(3-2-7-29(16)26-17)30-8-6-19(20,21)22/h2-3,7,12-13,15H,4-6,8-10H2,1H3,(H,24,26)/t12-,13+,15?
InChIKeyAAEAOCANLCADJJ-NNQSOWQGSA-N
XLogP3.55
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[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-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129216615) is N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCCC(F)(F)F)cccn3n2)n1.
What is the InChIKey of N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is AAEAOCANLCADJJ-NNQSOWQGSA-N. The full InChI is InChI=1S/C19H22F3N7OS/c1-11-23-18(31-27-11)28-9-12-4-5-13(10-28)15(12)24-17-25-16-14(3-2-7-29(16)26-17)30-8-6-19(20,21)22/h2-3,7,12-13,15H,4-6,8-10H2,1H3,(H,24,26)/t12-,13+,15?.
What are the key properties of N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 453.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129216615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).