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1799434-60-8 | Pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one, 2-[2-(2-quinolinyl)ethyl]-
CAS No: 1799434-60-8 Catalog No: AG0021II MDL No:
Product Description
Catalog Number:
AG0021II
Chemical Name:
Pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one, 2-[2-(2-quinolinyl)ethyl]-
CAS Number:
1799434-60-8
Molecular Formula:
C17H14N4O
Molecular Weight:
290.3193
IUPAC Name:
2-(2-quinolin-2-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1-one
InChI:
InChI=1S/C17H14N4O/c22-17-16-6-3-10-20(16)12-18-21(17)11-9-14-8-7-13-4-1-2-5-15(13)19-14/h1-8,10,12H,9,11H2
InChI Key:
ITSMQBFQNIUXFY-UHFFFAOYSA-N
SMILES:
O=c1n(CCc2ccc3c(n2)cccc3)ncn2c1ccc2
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.117g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.326g/mol
Monoisotopic Mass:
290.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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