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88489-98-9 | 1,2,4-Triazolo[4,3-b]pyridazine, 6-(4-methylphenyl)-
CAS No: 88489-98-9 Catalog No: AG0049B3 MDL No:
Product Description
Catalog Number:
AG0049B3
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine, 6-(4-methylphenyl)-
CAS Number:
88489-98-9
Molecular Formula:
C12H10N4
Molecular Weight:
210.2346
IUPAC Name:
6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
InChI:
InChI=1S/C12H10N4/c1-9-2-4-10(5-3-9)11-6-7-12-14-13-8-16(12)15-11/h2-8H,1H3
InChI Key:
SBBMDEIIUUWPEF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc2n(n1)cnn2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.24g/mol
Monoisotopic Mass:
210.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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