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81560-22-7 | 1H-Isoindol-3-amine, 5-methyl-N-2-pyridinyl-1-(2-pyridinylimino)-
CAS No: 81560-22-7 Catalog No: AG0051ML MDL No:
Product Description
Catalog Number:
AG0051ML
Chemical Name:
1H-Isoindol-3-amine, 5-methyl-N-2-pyridinyl-1-(2-pyridinylimino)-
CAS Number:
81560-22-7
Molecular Formula:
C19H15N5
Molecular Weight:
313.3559
IUPAC Name:
5-methyl-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine
InChI:
InChI=1S/C19H15N5/c1-13-8-9-14-15(12-13)19(23-17-7-3-5-11-21-17)24-18(14)22-16-6-2-4-10-20-16/h2-12H,1H3,(H,20,21,22,23,24)
InChI Key:
LLQBKHGKTPWKFC-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=NC2=Nc1ccccn1)Nc1ccccn1
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.133g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.364g/mol
Monoisotopic Mass:
313.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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