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803603-49-8 | (5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)methanamine
CAS No: 803603-49-8 Catalog No: AG005BH5 MDL No:MFCD09883715
Product Description
Catalog Number:
AG005BH5
Chemical Name:
(5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl)methanamine
CAS Number:
803603-49-8
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD09883715
IUPAC Name:
(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
InChI:
InChI=1S/C8H8N4O/c9-5-7-11-12-8(13-7)6-1-3-10-4-2-6/h1-4H,5,9H2
InChI Key:
ZYRQEBXPMGBZIB-UHFFFAOYSA-N
SMILES:
NCc1nnc(o1)c1ccncc1
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:
-0.8
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