sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-one

2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-one

CAS No.:
118801-67-5
Catalog Number:
AG01A9ME
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
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
Properties