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Home > Pyridines > 137381-66-9
137381-66-9 | 1(2H)-Phthalazinone, 2-ethyl-4-(3-pyridinyl)-
CAS No: 137381-66-9 Catalog No: AG001383 MDL No:
Product Description
Catalog Number:
AG001383
Chemical Name:
1(2H)-Phthalazinone, 2-ethyl-4-(3-pyridinyl)-
CAS Number:
137381-66-9
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
2-ethyl-4-pyridin-3-ylphthalazin-1-one
InChI:
InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
InChI Key:
SSNUPBSCHCYXHG-UHFFFAOYSA-N
SMILES:
CCn1nc(c2cccnc2)c2c(c1=O)cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Novel antiasthmatic agents with dual activities of thromboxane A2 synthetase inhibition and bronchodilation. 2. 4-(3-Pyridyl)-1(2H)-phthalazinones. | Journal of medicinal chemistry 19931210 |
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