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87841-07-4 | 1,2,4-Triazolo[4,3-b]pyridazine-3-carboxaldehyde
CAS No: 87841-07-4 Catalog No: AG004H6V MDL No:
Product Description
Catalog Number:
AG004H6V
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine-3-carboxaldehyde
CAS Number:
87841-07-4
Molecular Formula:
C6H4N4O
Molecular Weight:
148.1222
IUPAC Name:
[1,2,4]triazolo[4,3-b]pyridazine-3-carbaldehyde
InChI:
InChI=1S/C6H4N4O/c11-4-6-9-8-5-2-1-3-7-10(5)6/h1-4H
InChI Key:
YQCMLASTAFFGTP-UHFFFAOYSA-N
SMILES:
O=Cc1nnc2n1nccc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.125g/mol
Monoisotopic Mass:
148.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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