Home Other Building Blocks 3-[(pyridin-4-yl)methyl]-1,2,4-oxadiazol-5-amine

3-[(pyridin-4-yl)methyl]-1,2,4-oxadiazol-5-amine

CAS No.:
1248214-26-7
Catalog Number:
AG01C1BH
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
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Product Description
Catalog Number:
AG01C1BH
Chemical Name:
3-[(pyridin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CAS Number:
1248214-26-7
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD16786338
IUPAC Name:
3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-amine
InChI:
InChI=1S/C8H8N4O/c9-8-11-7(12-13-8)5-6-1-3-10-4-2-6/h1-4H,5H2,(H2,9,11,12)
InChI Key:
FFGNOBBPCBLUFX-UHFFFAOYSA-N
SMILES:
Nc1onc(n1)Cc1ccncc1
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties