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127478-29-9 | 1,2,4-Triazolo[4,3-b]pyridazine-7-carboxylic acid
CAS No: 127478-29-9 Catalog No: AG000X4A MDL No:MFCD18381195
Product Description
Catalog Number:
AG000X4A
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine-7-carboxylic acid
CAS Number:
127478-29-9
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
MDL Number:
MFCD18381195
IUPAC Name:
[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid
InChI:
InChI=1S/C6H4N4O2/c11-6(12)4-1-5-9-7-3-10(5)8-2-4/h1-3H,(H,11,12)
InChI Key:
NAROYRGDNAHKTE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2nncn2nc1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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