Home Aminos 2-[(3-aminophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(3-aminophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

CAS No.:
1016764-72-9
Catalog Number:
AG019N5A
Molecular Formula:
C13H12N4O
Molecular Weight:
240.2606
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Product Description
Catalog Number:
AG019N5A
Chemical Name:
2-[(3-aminophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CAS Number:
1016764-72-9
Molecular Formula:
C13H12N4O
Molecular Weight:
240.2606
MDL Number:
MFCD09813985
IUPAC Name:
2-[(3-aminophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C13H12N4O/c14-11-5-3-4-10(8-11)9-17-13(18)16-7-2-1-6-12(16)15-17/h1-8H,9,14H2
InChI Key:
NKKXFXLFJPYPSP-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1nc2n(c1=O)cccc2
Properties
Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.101g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.266g/mol
Monoisotopic Mass:
240.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties