Home Other Building Blocks 3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-amine

3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-amine

CAS No.:
1342082-17-0
Catalog Number:
AG01A594
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
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Product Description
Catalog Number:
AG01A594
Chemical Name:
3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-amine
CAS Number:
1342082-17-0
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD18302233
IUPAC Name:
3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-amine
InChI:
InChI=1S/C12H13N3O/c13-12-14-11(15-16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H2,13,14,15)
InChI Key:
VKXFWABQILNVKP-UHFFFAOYSA-N
SMILES:
Nc1onc(n1)C1CCCc2c1cccc2
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties