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88489-94-5 | 1,2,4-Triazolo[4,3-b]pyridazin-3-amine, 6-phenyl-, hydrochloride
CAS No: 88489-94-5 Catalog No: AG0049ZY MDL No:
Product Description
Catalog Number:
AG0049ZY
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazin-3-amine, 6-phenyl-, hydrochloride
CAS Number:
88489-94-5
Molecular Formula:
C11H10ClN5
Molecular Weight:
247.6836
IUPAC Name:
6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;hydrochloride
InChI:
InChI=1S/C11H9N5.ClH/c12-11-14-13-10-7-6-9(15-16(10)11)8-4-2-1-3-5-8;/h1-7H,(H2,12,14);1H
InChI Key:
IDUUMSOCIFYEIR-UHFFFAOYSA-N
SMILES:
Nc1nnc2n1nc(cc2)c1ccccc1.Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.686g/mol
Monoisotopic Mass:
247.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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