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Home > Pyridines > 121845-58-7
121845-58-7 | Pyrido[3,4-e]-1,2,4-triazine, 3-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 121845-58-7 Catalog No: AG001650 MDL No:
Product Description
Catalog Number:
AG001650
Chemical Name:
Pyrido[3,4-e]-1,2,4-triazine, 3-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
121845-58-7
Molecular Formula:
C16H16N4
Molecular Weight:
264.3250
IUPAC Name:
3-(4-tert-butylphenyl)pyrido[3,4-e][1,2,4]triazine
InChI:
InChI=1S/C16H16N4/c1-16(2,3)12-6-4-11(5-7-12)15-18-14-10-17-9-8-13(14)19-20-15/h4-10H,1-3H3
InChI Key:
JMEJFIDFLUQJQG-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nnc2c(n1)cncc2)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.332g/mol
Monoisotopic Mass:
264.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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