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1157834-49-5 | 1,2,4-Oxadiazole-5-methanamine, 3-(2-pyrazinyl)-
CAS No: 1157834-49-5 Catalog No: AG000GUB MDL No:MFCD12066263
Product Description
Catalog Number:
AG000GUB
Chemical Name:
1,2,4-Oxadiazole-5-methanamine, 3-(2-pyrazinyl)-
CAS Number:
1157834-49-5
Molecular Formula:
C7H7N5O
Molecular Weight:
177.1634
MDL Number:
MFCD12066263
IUPAC Name:
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
InChI:
InChI=1S/C7H7N5O/c8-3-6-11-7(12-13-6)5-4-9-1-2-10-5/h1-2,4H,3,8H2
InChI Key:
SWHSAWZNCSKHPX-UHFFFAOYSA-N
SMILES:
NCc1onc(n1)c1cnccn1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.167g/mol
Monoisotopic Mass:
177.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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