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Home > Pyridines > 1520363-52-3
1520363-52-3 | 4-(4H-1,2,4-triazole-3-carbonyl)pyridine
CAS No: 1520363-52-3 Catalog No: AG01AC1G MDL No:MFCD26683083
Product Description
Catalog Number:
AG01AC1G
Chemical Name:
4-(4H-1,2,4-triazole-3-carbonyl)pyridine
CAS Number:
1520363-52-3
Molecular Formula:
C8H6N4O
Molecular Weight:
174.1594
MDL Number:
MFCD26683083
IUPAC Name:
pyridin-4-yl(1H-1,2,4-triazol-5-yl)methanone
InChI:
InChI=1S/C8H6N4O/c13-7(8-10-5-11-12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11,12)
InChI Key:
FFDZJRGGAJCMSF-UHFFFAOYSA-N
SMILES:
O=C(c1nnc[nH]1)c1ccncc1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.163g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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