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117608-09-0 | Isoxazolo[3,4-e]pyrazolo[5,1-c][1,2,4]triazine(9CI)
CAS No: 117608-09-0 Catalog No: AG007QVC MDL No:
Product Description
Catalog Number:
AG007QVC
Chemical Name:
Isoxazolo[3,4-e]pyrazolo[5,1-c][1,2,4]triazine(9CI)
CAS Number:
117608-09-0
Molecular Formula:
C6H3N5O
Molecular Weight:
161.1209
IUPAC Name:
4-oxa-1,3,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene
InChI:
InChI=1S/C6H3N5O/c1-2-7-11-5(1)9-8-4-3-12-10-6(4)11/h1-3H
InChI Key:
POOLWGFWUSKQGZ-UHFFFAOYSA-N
SMILES:
c1cc2n(n1)c1nocc1nn2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.124g/mol
Monoisotopic Mass:
161.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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