Home Other Building Blocks 4-{[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}aniline

4-{[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}aniline

CAS No.:
1016839-14-7
Catalog Number:
AG01AHIB
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
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Product Description
Catalog Number:
AG01AHIB
Chemical Name:
4-{[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}aniline
CAS Number:
1016839-14-7
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
MDL Number:
MFCD09943606
IUPAC Name:
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
InChI:
InChI=1S/C13H12N4/c14-11-6-4-10(5-7-11)9-13-16-15-12-3-1-2-8-17(12)13/h1-8H,9,14H2
InChI Key:
KPQBQKDBTBBUKO-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1nnc2n1cccc2
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.267g/mol
Monoisotopic Mass:
224.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties