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121845-78-1

121845-78-1 | Pyrido[3,4-e]-1,2,4-triazine, 3-(4-fluorophenyl)-5,7-dimethyl-

CAS No: 121845-78-1 Catalog No: AG00164K MDL No:

Product Description

Catalog Number:
AG00164K
Chemical Name:
Pyrido[3,4-e]-1,2,4-triazine, 3-(4-fluorophenyl)-5,7-dimethyl-
CAS Number:
121845-78-1
Molecular Formula:
C14H11FN4
Molecular Weight:
254.2623
IUPAC Name:
3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazine
InChI:
InChI=1S/C14H11FN4/c1-8-7-12-13(9(2)16-8)17-14(19-18-12)10-3-5-11(15)6-4-10/h3-7H,1-2H3
InChI Key:
CCDSSJHYLBLXRY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc2c(n1)c(C)nc(c2)C

Properties

Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.097g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.268g/mol
Monoisotopic Mass:
254.097g/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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