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Home > Pyridines > 118801-67-5
118801-67-5 | 2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CAS No: 118801-67-5 Catalog No: AG01A9ME MDL No:MFCD13178772
Product Description
Catalog Number:
AG01A9ME
Chemical Name:
2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CAS Number:
118801-67-5
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD13178772
IUPAC Name:
5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C6H9N3O/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H2,(H,8,10)
InChI Key:
VNJXPEWQUVGHKM-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc2n1CCCC2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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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