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201025-27-6 | 1H,4H-Bis[1,2,5]oxadiazolo[3,4-b:3',4'-e]pyrazin-4-amine
CAS No: 201025-27-6 Catalog No: AG002D5E MDL No:
Product Description
Catalog Number:
AG002D5E
Chemical Name:
1H,4H-Bis[1,2,5]oxadiazolo[3,4-b:3',4'-e]pyrazin-4-amine
CAS Number:
201025-27-6
Molecular Formula:
C4H3N7O2
Molecular Weight:
181.1123
IUPAC Name:
5,11-dioxa-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-2-amine
InChI:
InChI=1S/C4H3N7O2/c5-11-3-1(7-12-9-3)6-2-4(11)10-13-8-2/h5H2,(H,6,7,8)
InChI Key:
MPHKMHCLZIBXRV-UHFFFAOYSA-N
SMILES:
Nn1c2nonc2nc2c1no[nH]2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.115g/mol
Monoisotopic Mass:
181.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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