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Home > Pyridines > 400075-27-6
400075-27-6 | 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
CAS No: 400075-27-6 Catalog No: AG019K9J MDL No:MFCD01936059
Product Description
Catalog Number:
AG019K9J
Chemical Name:
6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
CAS Number:
400075-27-6
Molecular Formula:
C8H5N5
Molecular Weight:
171.1588
MDL Number:
MFCD01936059
IUPAC Name:
6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C8H5N5/c9-3-7-1-2-8(11-4-7)13-6-10-5-12-13/h1-2,4-6H
InChI Key:
RONSSOSFWUUHDT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)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:
0.6
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