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246048-66-8 | 1,2,5-Oxadiazol-3-amine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis- (9CI)
CAS No: 246048-66-8 Catalog No: AG002OQ3 MDL No:
Product Description
Catalog Number:
AG002OQ3
Chemical Name:
1,2,5-Oxadiazol-3-amine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis- (9CI)
CAS Number:
246048-66-8
Molecular Formula:
C6H5N9O2
Molecular Weight:
235.1630
IUPAC Name:
4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine
InChI:
InChI=1S/C6H5N9O2/c7-3-1(12-16-14-3)5-9-6(11-10-5)2-4(8)15-17-13-2/h(H2,7,14)(H2,8,15)(H,9,10,11)
InChI Key:
FRGIXFDKYSYJKD-UHFFFAOYSA-N
SMILES:
Nc1nonc1c1[nH]nc(n1)c1nonc1N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.167g/mol
Monoisotopic Mass:
235.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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