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842972-47-8 | ([1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YLOXY)ACETIC ACID
CAS No: 842972-47-8 Catalog No: AG004THZ MDL No:MFCD06255200
Product Description
Catalog Number:
AG004THZ
Chemical Name:
([1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YLOXY)ACETIC ACID
CAS Number:
842972-47-8
Molecular Formula:
C7H6N4O3
Molecular Weight:
194.1475
MDL Number:
MFCD06255200
IUPAC Name:
2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetic acid
InChI:
InChI=1S/C7H6N4O3/c12-7(13)3-14-6-2-1-5-9-8-4-11(5)10-6/h1-2,4H,3H2,(H,12,13)
InChI Key:
KCCUGNPBQXGXGB-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc2n(n1)cnn2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.15g/mol
Monoisotopic Mass:
194.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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