Home Other Building Blocks [2-(1H-1,2,4-triazol-1-yl)pyridin-4-yl]methanamine

[2-(1H-1,2,4-triazol-1-yl)pyridin-4-yl]methanamine

CAS No.:
954264-57-4
Catalog Number:
AG01C0H3
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
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Product Description
Catalog Number:
AG01C0H3
Chemical Name:
[2-(1H-1,2,4-triazol-1-yl)pyridin-4-yl]methanamine
CAS Number:
954264-57-4
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
MDL Number:
MFCD09737910
IUPAC Name:
[2-(1,2,4-triazol-1-yl)pyridin-4-yl]methanamine
InChI:
InChI=1S/C8H9N5/c9-4-7-1-2-11-8(3-7)13-6-10-5-12-13/h1-3,5-6H,4,9H2
InChI Key:
DUYAAJSVDJDKHV-UHFFFAOYSA-N
SMILES:
NCc1ccnc(c1)n1cncn1
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.086g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.195g/mol
Monoisotopic Mass:
175.086g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties