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Home > Pyridines > 884504-69-2
884504-69-2 | 4-(3-PYRIDYL)-1H-1,2,3-TRIAZOLE-5-CARBONITRILE
CAS No: 884504-69-2 Catalog No: AG00GS7J MDL No:MFCD00169915
Product Description
Catalog Number:
AG00GS7J
Chemical Name:
4-(3-PYRIDYL)-1H-1,2,3-TRIAZOLE-5-CARBONITRILE
CAS Number:
884504-69-2
Molecular Formula:
C8H5N5
Molecular Weight:
171.1588
MDL Number:
MFCD00169915
IUPAC Name:
5-pyridin-3-yl-2H-triazole-4-carbonitrile
InChI:
InChI=1S/C8H5N5/c9-4-7-8(12-13-11-7)6-2-1-3-10-5-6/h1-3,5H,(H,11,12,13)
InChI Key:
XRTPBPLIVYBPJL-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]nnc1c1cccnc1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.163g/mol
Monoisotopic Mass:
171.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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