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343328-67-6 | 1-[1H-1,2,3-Benzotriazol-1-yl(pyridin-2-yl)methyl]pyrrolidin-2-one
CAS No: 343328-67-6 Catalog No: AG01EVLX MDL No:
Product Description
Catalog Number:
AG01EVLX
Chemical Name:
1-[1H-1,2,3-Benzotriazol-1-yl(pyridin-2-yl)methyl]pyrrolidin-2-one
CAS Number:
343328-67-6
Molecular Formula:
C16H15N5O
Molecular Weight:
293.3232
IUPAC Name:
1-[benzotriazol-1-yl(pyridin-2-yl)methyl]pyrrolidin-2-one
InChI:
InChI=1S/C16H15N5O/c22-15-9-5-11-20(15)16(13-7-3-4-10-17-13)21-14-8-2-1-6-12(14)18-19-21/h1-4,6-8,10,16H,5,9,11H2
InChI Key:
YRSXUIPXWBLQHM-UHFFFAOYSA-N
SMILES:
O=C1CCCN1C(n1nnc2c1cccc2)c1ccccn1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.128g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.33g/mol
Monoisotopic Mass:
293.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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