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Home > Fluorides > 121845-91-8
121845-91-8 | Pyrido[3,2-e]-1,2,4-triazine, 3-(4-fluorophenyl)-
CAS No: 121845-91-8 Catalog No: AG00165K MDL No:
Product Description
Catalog Number:
AG00165K
Chemical Name:
Pyrido[3,2-e]-1,2,4-triazine, 3-(4-fluorophenyl)-
CAS Number:
121845-91-8
Molecular Formula:
C12H7FN4
Molecular Weight:
226.2092
IUPAC Name:
3-(4-fluorophenyl)pyrido[3,2-e][1,2,4]triazine
InChI:
InChI=1S/C12H7FN4/c13-9-5-3-8(4-6-9)11-15-10-2-1-7-14-12(10)17-16-11/h1-7H
InChI Key:
DAYMHSYYQPOVJS-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc2c(n1)cccn2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.214g/mol
Monoisotopic Mass:
226.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Pyrido[3,4-e]-1,2,4-triazines and related heterocycles as potential antifungal agents. | Journal of medicinal chemistry 19891101 |
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