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87683-31-6 | 5,8-Methano-1H-cyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine(9CI)
CAS No: 87683-31-6 Catalog No: AG004GXU MDL No:
Product Description
Catalog Number:
AG004GXU
Chemical Name:
5,8-Methano-1H-cyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine(9CI)
CAS Number:
87683-31-6
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
IUPAC Name:
2,4,6-triazatetracyclo[5.4.1.02,6.08,11]dodeca-1(11),3,7-triene
InChI:
InChI=1S/C9H9N3/c1-2-7-6(1)8-3-9(7)12-5-10-4-11(8)12/h4H,1-3,5H2
InChI Key:
RHANTKBQPXFJQZ-UHFFFAOYSA-N
SMILES:
N1=Cn2n(C1)c1Cc2c2c1CC2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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