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Home > Pyridines > 1339342-11-8
1339342-11-8 | 6-(1H-1,2,4-TRIAZOL-1-YL)PYRIDINE-2-CARBONITRILE
CAS No: 1339342-11-8 Catalog No: AG01DSSS MDL No:MFCD20392236
Product Description
Catalog Number:
AG01DSSS
Chemical Name:
6-(1H-1,2,4-TRIAZOL-1-YL)PYRIDINE-2-CARBONITRILE
CAS Number:
1339342-11-8
Molecular Formula:
C8H5N5
Molecular Weight:
171.1588
MDL Number:
MFCD20392236
IUPAC Name:
6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile
InChI:
InChI=1S/C8H5N5/c9-4-7-2-1-3-8(12-7)13-6-10-5-11-13/h1-3,5-6H
InChI Key:
PSAGPEARRIAGFX-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(n1)n1cncn1
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:
0
Isotope Atom Count:
0
Molecular Weight:
171.163g/mol
Monoisotopic Mass:
171.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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