Home Other Building Blocks 4-[(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)carbamoyl]butanoic acid

4-[(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)carbamoyl]butanoic acid

CAS No.:
1184188-37-1
Catalog Number:
AG01AFAC
Molecular Formula:
C13H16N4O3
Molecular Weight:
276.2911
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Product Description
Catalog Number:
AG01AFAC
Chemical Name:
4-[(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)carbamoyl]butanoic acid
CAS Number:
1184188-37-1
Molecular Formula:
C13H16N4O3
Molecular Weight:
276.2911
MDL Number:
MFCD27500786
IUPAC Name:
5-oxo-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanoic acid
InChI:
InChI=1S/C13H16N4O3/c1-9(14-11(18)6-4-7-12(19)20)13-16-15-10-5-2-3-8-17(10)13/h2-3,5,8-9H,4,6-7H2,1H3,(H,14,18)(H,19,20)
InChI Key:
CMQSEAQCCITCED-UHFFFAOYSA-N
SMILES:
O=C(NC(c1nnc2n1cccc2)C)CCCC(=O)O
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.122g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.296g/mol
Monoisotopic Mass:
276.122g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties