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1016878-15-1 | 2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetonitrile
CAS No: 1016878-15-1 Catalog No: AG01A8TN MDL No:MFCD09944984
Product Description
Catalog Number:
AG01A8TN
Chemical Name:
2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetonitrile
CAS Number:
1016878-15-1
Molecular Formula:
C8H6N4O
Molecular Weight:
174.1594
MDL Number:
MFCD09944984
IUPAC Name:
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetonitrile
InChI:
InChI=1S/C8H6N4O/c9-4-6-12-8(13)11-5-2-1-3-7(11)10-12/h1-3,5H,6H2
InChI Key:
HPSBWXNZWVLWQS-UHFFFAOYSA-N
SMILES:
N#CCn1nc2n(c1=O)cccc2
Properties
Complexity:
384
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.163g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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