Home Other Building Blocks [3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methanamine dihydrochloride

[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methanamine dihydrochloride

CAS No.:
1258650-65-5
Catalog Number:
AG01AARD
Molecular Formula:
C8H11Cl2N5
Molecular Weight:
248.1124
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Product Description
Catalog Number:
AG01AARD
Chemical Name:
[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methanamine dihydrochloride
CAS Number:
1258650-65-5
Molecular Formula:
C8H11Cl2N5
Molecular Weight:
248.1124
MDL Number:
MFCD17480399
IUPAC Name:
(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methanamine;dihydrochloride
InChI:
InChI=1S/C8H9N5.2ClH/c9-4-7-11-8(13-12-7)6-2-1-3-10-5-6;;/h1-3,5H,4,9H2,(H,11,12,13);2*1H
InChI Key:
GNEAQNCWZGEBCE-UHFFFAOYSA-N
SMILES:
NCc1[nH]nc(n1)c1cccnc1.Cl.Cl
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
248.111g/mol
Monoisotopic Mass:
247.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties