N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C17H18F3N7S — CID 70660407

IUPACN-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3cc(C(F)(F)F)ccn3n2)n1
InChIInChI=1S/C17H18F3N7S/c1-9-21-16(28-25-9)26-7-10-2-3-11(8-26)14(10)23-15-22-13-6-12(17(18,19)20)4-5-27(13)24-15/h4-6,10-11,14H,2-3,7-8H2,1H3,(H,23,24)/t10-,11+,14?
InChIKeyPISFLYAGRSLZGX-BVUQATHDSA-N
MW409.44 g/mol
LogP3.23
Rot. Bonds3

About N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-7-(trifluoromethyl)-[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]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70660407) has the molecular formula C17H18F3N7S and a molecular weight of 409.44 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]-7-(trifluoromethyl)-[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]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70660407
Molecular FormulaC17H18F3N7S
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC NameN-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3cc(C(F)(F)F)ccn3n2)n1
InChIInChI=1S/C17H18F3N7S/c1-9-21-16(28-25-9)26-7-10-2-3-11(8-26)14(10)23-15-22-13-6-12(17(18,19)20)4-5-27(13)24-15/h4-6,10-11,14H,2-3,7-8H2,1H3,(H,23,24)/t10-,11+,14?
InChIKeyPISFLYAGRSLZGX-BVUQATHDSA-N
XLogP3.23
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-7-(trifluoromethyl)-[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]-7-(trifluoromethyl)-[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]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70660407) is N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-7-(trifluoromethyl)-[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]-7-(trifluoromethyl)-[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]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3cc(C(F)(F)F)ccn3n2)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]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is PISFLYAGRSLZGX-BVUQATHDSA-N. The full InChI is InChI=1S/C17H18F3N7S/c1-9-21-16(28-25-9)26-7-10-2-3-11(8-26)14(10)23-15-22-13-6-12(17(18,19)20)4-5-27(13)24-15/h4-6,10-11,14H,2-3,7-8H2,1H3,(H,23,24)/t10-,11+,14?.
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]-7-(trifluoromethyl)-[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]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 409.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70660407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).