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121845-81-6 | Pyrido[3,4-e]-1,2,4-triazin-8-amine, 3-(4-fluorophenyl)-5,7-dimethyl-
CAS No: 121845-81-6 Catalog No: AG00164H MDL No:
Product Description
Catalog Number:
AG00164H
Chemical Name:
Pyrido[3,4-e]-1,2,4-triazin-8-amine, 3-(4-fluorophenyl)-5,7-dimethyl-
CAS Number:
121845-81-6
Molecular Formula:
C14H12FN5
Molecular Weight:
269.2770
IUPAC Name:
3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazin-8-amine
InChI:
InChI=1S/C14H12FN5/c1-7-11(16)13-12(8(2)17-7)18-14(20-19-13)9-3-5-10(15)6-4-9/h3-6H,16H2,1-2H3
InChI Key:
JAOCVEUXLCGBQW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc2c(n1)c(C)nc(c2N)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.283g/mol
Monoisotopic Mass:
269.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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