(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane


Chemical Name: (1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
CAS Number: 423165-07-5
Product Number: AG00I878(AGN-PC-007GVL)
Synonyms:
MDL No:
Molecular Formula: C13H22N4
Molecular Weight: 234.3406

Identification/Properties


Computed Properties
Molecular Weight:
234.347g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
234.184g/mol
Monoisotopic Mass:
234.184g/mol
Topological Polar Surface Area:
42.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
269
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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