Home Other Building Blocks 1-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-amine

1-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-amine

CAS No.:
1178229-40-7
Catalog Number:
AG01A8E7
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
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Product Description
Catalog Number:
AG01A8E7
Chemical Name:
1-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-amine
CAS Number:
1178229-40-7
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
MDL Number:
MFCD12804852
IUPAC Name:
1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
InChI:
InChI=1S/C8H9N5/c9-8-11-6-13(12-8)5-7-2-1-3-10-4-7/h1-4,6H,5H2,(H2,9,12)
InChI Key:
GIWWWJBTNPQANF-UHFFFAOYSA-N
SMILES:
Nc1ncn(n1)Cc1cccnc1
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