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Home > Fluorides > 121845-59-8
121845-59-8 | Pyrido[3,4-e]-1,2,4-triazine, 3-[4-(trifluoromethyl)phenyl]-
CAS No: 121845-59-8 Catalog No: AG00164Z MDL No:
Product Description
Catalog Number:
AG00164Z
Chemical Name:
Pyrido[3,4-e]-1,2,4-triazine, 3-[4-(trifluoromethyl)phenyl]-
CAS Number:
121845-59-8
Molecular Formula:
C13H7F3N4
Molecular Weight:
276.2167
IUPAC Name:
3-[4-(trifluoromethyl)phenyl]pyrido[3,4-e][1,2,4]triazine
InChI:
InChI=1S/C13H7F3N4/c14-13(15,16)9-3-1-8(2-4-9)12-18-11-7-17-6-5-10(11)19-20-12/h1-7H
InChI Key:
KXYKQBMMHPXHPU-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)c1nnc2c(n1)cncc2)(F)F
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.222g/mol
Monoisotopic Mass:
276.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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