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

(butan-2-yl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine

CAS No.:
1156212-02-0
Catalog Number:
AG01AI0B
Molecular Formula:
C12H18N4
Molecular Weight:
218.2981
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Product Description
Catalog Number:
AG01AI0B
Chemical Name:
(butan-2-yl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine
CAS Number:
1156212-02-0
Molecular Formula:
C12H18N4
Molecular Weight:
218.2981
MDL Number:
MFCD12119935
IUPAC Name:
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
InChI:
InChI=1S/C12H18N4/c1-4-9(2)13-10(3)12-15-14-11-7-5-6-8-16(11)12/h5-10,13H,4H2,1-3H3
InChI Key:
IHBFLTPESZBDKW-UHFFFAOYSA-N
SMILES:
CCC(NC(c1nnc2n1cccc2)C)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.153g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.304g/mol
Monoisotopic Mass:
218.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties