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

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

CAS No.:
1156664-91-3
Catalog Number:
AG01AF5S
Molecular Formula:
C12H11N5
Molecular Weight:
225.2492
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Product Description
Catalog Number:
AG01AF5S
Chemical Name:
4-{[1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl}aniline
CAS Number:
1156664-91-3
Molecular Formula:
C12H11N5
Molecular Weight:
225.2492
MDL Number:
MFCD12095965
IUPAC Name:
4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)aniline
InChI:
InChI=1S/C12H11N5/c13-10-4-2-9(3-5-10)8-11-15-16-12-14-6-1-7-17(11)12/h1-7H,8,13H2
InChI Key:
XWMFJHBJYMUKND-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1nnc2n1cccn2
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.101g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.255g/mol
Monoisotopic Mass:
225.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties