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88277-76-3 | 1,2,4-Triazolo[4,3-b]pyridazine-3-carbonitrile
CAS No: 88277-76-3 Catalog No: AG0049L5 MDL No:
Product Description
Catalog Number:
AG0049L5
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine-3-carbonitrile
CAS Number:
88277-76-3
Molecular Formula:
C6H3N5
Molecular Weight:
145.1215
IUPAC Name:
[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile
InChI:
InChI=1S/C6H3N5/c7-4-6-10-9-5-2-1-3-8-11(5)6/h1-3H
InChI Key:
RJYHUTBOCLEENE-UHFFFAOYSA-N
SMILES:
N#Cc1nnc2n1nccc2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.125g/mol
Monoisotopic Mass:
145.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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